Helios CPU

Some software in the list below may require an additional licence and may not be generally available to all PLGrid users.

ABAQUS

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

Versions	Environment loading command (via Lmod)
2024	`ABAQUS/2024`
2025	`ABAQUS/2025`

ABySS

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

Versions	Environment loading command (via Lmod)
2.3.7	`GCC/13.2.0 OpenMPI/5.0.3 ABySS/2.3.7`

ACTC

ACTC converts independent triangles into triangle strips or fans.

Versions	Environment loading command (via Lmod)
1.1	`GCCcore/13.2.0 ACTC/1.1`

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	Environment loading command (via Lmod)
19.02.13-linux_64bit	`intel-compilers2023.2.1 impi/2021.10.0 AIMAll/19.02.13-linux_64bit`

AMS

ADF Quantum Chemistry Package with GPGPU support (AMS)

Versions	Environment loading command (via Lmod)
2023.104	`AMS/2023.104`
2024.102	`AMS/2024.102`
2024.106	`AMS/2024.106`
2025.101	`AMS/2025.101`

ANSYS

Ansys/Fluent

Versions	Environment loading command (via Lmod)
2024R1	`ANSYS/2024R1`
2024R1.lua	`ANSYS/2024R1.lua`
2025R2	`ANSYS/2025R2`

AOCC

AMD Optimized C/C++ & Fortran compilers (AOCC) based on LLVM 13.0

Versions	Environment loading command (via Lmod)
4.2.0	`GCCcore/13.2.0 AOCC/4.2.0`
5.0.0	`AOCC/5.0.0`

AOCL

AOCL-BLAS is AMD's optimized version of BLAS targeted for AMD EPYC and Ryzen CPUs.

Versions	Environment loading command (via Lmod)
5.1.0	`AOCC/5.0.0 AOCL/5.1.0`

AOCL-BLAS

AOCL-BLAS is AMD's optimized version of BLAS targeted for AMD EPYC and Ryzen CPUs.

Versions	Environment loading command (via Lmod)
5.0	`GCC/13.2.0 AOCL-BLAS/5.0`

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	Environment loading command (via Lmod)
3.0.0	`APBS/3.0.0`

AQUA-DUCT

AQUA-DUCT is perfectly capable of tracing molecules that enter defined region of the macromolecule during MD simulation.

Versions	Environment loading command (via Lmod)
1.0.11	`GCC/13.2.0 OpenMPI/5.0.3 AQUA-DUCT/1.0.11`

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	Environment loading command (via Lmod)
3.25.0	`GCC/13.2.0 ASE/3.25.0`

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	Environment loading command (via Lmod)
2.38.0	`GCCcore/13.2.0 ATK/2.38.0`

AUGUSTUS

AUGUSTUS is a program that predicts genes in eukaryotic genomic sequences

Versions	Environment loading command (via Lmod)
3.5.0	`GCC/13.2.0 OpenMPI/5.0.3 AUGUSTUS/3.5.0`

Amber

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

Versions	Environment loading command (via Lmod)
22.5-AmberTools-23.6	`GCC/13.2.0 OpenMPI/5.0.3 Amber/22.5-AmberTools-23.6`
24.3-AmberTools-24.8	`GCC/13.2.0 OpenMPI/5.0.3 Amber/24.3-AmberTools-24.8`
24.3-AmberTools-25.0	`GCC/13.2.0 OpenMPI/5.0.3 Amber/24.3-AmberTools-25.0`

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	Environment loading command (via Lmod)
12.8.0	`GCC/13.2.0 OpenMPI/5.0.3 Armadillo/12.8.0`
12.8.0	`intel-compilers2023.2.1 impi/2021.10.0 Armadillo/12.8.0`

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	Environment loading command (via Lmod)
4.2.6	`GCC/13.2.0 AutoDock/4.2.6`

AutoGrid

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	Environment loading command (via Lmod)
4.2.6	`GCC/13.2.0 AutoGrid/4.2.6`

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	Environment loading command (via Lmod)
2.71	`GCCcore/13.2.0 Autoconf/2.71`
2.72	`GCCcore/13.3.0 Autoconf/2.72`
2.71	`Autoconf/2.71`

Automake

Automake: GNU Standards-compliant Makefile generator

Versions	Environment loading command (via Lmod)
1.16.5	`GCCcore/13.2.0 Automake/1.16.5`
1.16.5	`GCCcore/13.3.0 Automake/1.16.5`
1.16.5	`Automake/1.16.5`

Autotools

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

Versions	Environment loading command (via Lmod)
20220317	`GCCcore/13.2.0 Autotools/20220317`
20231222	`GCCcore/13.3.0 Autotools/20231222`
20220317	`Autotools/20220317`

BBMap

BBMap short read aligner, and other bioinformatic tools.

Versions	Environment loading command (via Lmod)
39.01	`GCC/13.2.0 BBMap/39.01`

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	Environment loading command (via Lmod)
1.19	`GCC/13.2.0 BCFtools/1.19`

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	Environment loading command (via Lmod)
0.1.3	`AOCC/5.0.0 BEEF/0.1.3`
0.1.3	`GCC/13.2.0 BEEF/0.1.3`
0.1.3	`intel-compilers2023.2.1 impi/2021.10.0 BEEF/0.1.3`
0.1.3	`intel-compilers2023.2.1 OpenMPI/5.0.3 BEEF/0.1.3`

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	Environment loading command (via Lmod)
2.14.1	`GCC/13.2.0 OpenMPI/5.0.3 BLAST+/2.14.1`

BLAT

BLAT on DNA is designed to quickly find sequences of 95% and greater similarity of length 25 bases or more.

Versions	Environment loading command (via Lmod)
3.7	`GCC/13.2.0 BLAT/3.7`

BLIS

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

Versions	Environment loading command (via Lmod)
0.9.0	`GCC/13.2.0 BLIS/0.9.0`
1.0	`GCC/13.3.0 BLIS/1.0`

BUSCO

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

Versions	Environment loading command (via Lmod)
5.7.1	`GCC/13.2.0 OpenMPI/5.0.3 BUSCO/5.7.1`

BamTools

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

Versions	Environment loading command (via Lmod)
2.5.2	`GCC/13.2.0 BamTools/2.5.2`

BeautifulSoup

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

Versions	Environment loading command (via Lmod)
4.12.2	`GCCcore/13.2.0 BeautifulSoup/4.12.2`

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	Environment loading command (via Lmod)
1.84	`GCC/13.2.0 Biopython/1.84`
1.84	`GCC/13.3.0 Biopython/1.84`
1.81	`GCC/13.2.0 OpenMPI/5.0.3 Biopython/1.81`

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	Environment loading command (via Lmod)
3.8.2	`GCCcore/13.2.0 Bison/3.8.2`
3.8.2	`GCCcore/13.3.0 Bison/3.8.2`
3.8.2	`Bison/3.8.2`

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	Environment loading command (via Lmod)
1.0.2	`GCCcore/13.2.0 Blitz++/1.0.2`

Boost

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

Versions	Environment loading command (via Lmod)
1.83.0	`GCC/13.2.0 Boost/1.83.0`
1.85.0	`GCC/13.3.0 Boost/1.85.0`
1.83.0	`GCCcore/13.2.0 Boost/1.83.0`
1.83.0	`intel-compilers2023.2.1 Boost/1.83.0`

Boost.MPI

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

Versions	Environment loading command (via Lmod)
1.83.0-threadsafe	`GCC/13.2.0 Boost.MPI/1.83.0-threadsafe`

Boost.Python

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

Versions	Environment loading command (via Lmod)
1.83.0	`GCC/13.2.0 Boost.Python/1.83.0`

Bowtie

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

Versions	Environment loading command (via Lmod)
1.3.1	`GCC/13.2.0 Bowtie/1.3.1`

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	Environment loading command (via Lmod)
2.5.1	`GCC/13.2.0 Bowtie2/2.5.1`

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	Environment loading command (via Lmod)
1.1.0	`GCCcore/13.2.0 Brotli/1.1.0`

CASTEP

CASTEP is an electronic structure materials modelling code based on density functional theory (DFT), with functionality including geometry optimization molecular dynamics, phonons, NMR chemical shifts and much more.

Versions	Environment loading command (via Lmod)
22.11	`GCC/13.2.0 OpenMPI/5.0.3 CASTEP/22.11`
24.1	`GCC/13.2.0 OpenMPI/5.0.3 CASTEP/24.1`
25.1.2	`GCC/13.2.0 OpenMPI/5.0.3 CASTEP/25.1.2`
25.1.2	`intel-compilers2023.2.1 impi/2021.10.0 CASTEP/25.1.2`

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	Environment loading command (via Lmod)
4.3.1	`GCCcore/13.2.0 CFITSIO/4.3.1`

CFOUR

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

Versions	Environment loading command (via Lmod)
2.1-omp	`intel-compilers2023.2.1 CFOUR/2.1-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	Environment loading command (via Lmod)
5.6.1	`GCCcore/13.2.0 CGAL/5.6.1`

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	Environment loading command (via Lmod)
2.4.6.2	`GCC/13.2.0 CLHEP/2.4.6.2`
2.4.6.4	`GCC/13.2.0 CLHEP/2.4.6.4`

CMake

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

Versions	Environment loading command (via Lmod)
3.27.6	`GCCcore/13.2.0 CMake/3.27.6`
3.29.3	`GCCcore/13.2.0 CMake/3.29.3`
3.29.3	`GCCcore/13.3.0 CMake/3.29.3`
3.26.5	`CMake/3.26.5`
3.29.3	`CMake/3.29.3`

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	Environment loading command (via Lmod)
2023.1	`GCC/13.2.0 OpenMPI/5.0.3 CP2K/2023.1`
2024.1	`GCC/13.2.0 OpenMPI/5.0.3 CP2K/2024.1`
2025.1-libcp2k	`GCC/13.2.0 OpenMPI/5.0.3 CP2K/2025.1-libcp2k`
2025.1	`GCC/13.2.0 OpenMPI/5.0.3 CP2K/2025.1`
2024.2	`intel-compilers2023.2.1 impi/2021.10.0 CP2K/2024.2`
2024.3	`intel-compilers2023.2.1 impi/2021.10.0 CP2K/2024.3`
2025.1	`intel-compilers2023.2.1 impi/2021.10.0 CP2K/2025.1`

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	Environment loading command (via Lmod)
3.0.2	`intel-compilers2023.2.1 impi/2021.10.0 CREST/3.0.2`

CRYSTAL23

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

Versions	Environment loading command (via Lmod)
1.0.1	`intel-compilers2023.2.1 OpenMPI/5.0.3 CRYSTAL23/1.0.1`

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	Environment loading command (via Lmod)
12.4.0	`CUDA/12.4.0`

Catch2

A modern, C++-native, header-only, test framework for unit-tests, TDD and BDD - using C++11, C++14, C++17 and later

Versions	Environment loading command (via Lmod)
2.13.9	`GCCcore/13.2.0 Catch2/2.13.9`
2.13.10	`GCCcore/13.3.0 Catch2/2.13.10`

Cereal

cereal is a header-only C++11 serialization library. cereal takes arbitrary data types and reversibly turns them into different representations, such as compact binary encodings, XML, or JSON. cereal was designed to be fast, light-weight, and easy to extend - it has no external dependencies and can be easily bundled with other code or used standalone.

Versions	Environment loading command (via Lmod)
1.3.2	`GCCcore/13.2.0 Cereal/1.3.2`

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	Environment loading command (via Lmod)
1.8.12	`GCC/13.2.0 OpenMPI/5.0.3 CheMPS2/1.8.12`

CoordgenLibs

Schrodinger-developed 2D Coordinate Generation

Versions	Environment loading command (via Lmod)
3.0.2	`GCC/13.2.0 OpenMPI/5.0.3 CoordgenLibs/3.0.2`

CppUnit

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

Versions	Environment loading command (via Lmod)
1.15.1	`GCCcore/13.2.0 CppUnit/1.15.1`

CrayCCE

Toolchain using Cray compiler wrapper, using PrgEnv-cray (PE release: December 2023).

Versions	Environment loading command (via Lmod)
23.12	`CrayCCE/23.12`

Cython

Cython is an optimising static compiler for both the Python programming language and the extended Cython programming language (based on Pyrex).

Versions	Environment loading command (via Lmod)
3.0.10	`GCCcore/13.3.0 Cython/3.0.10`

DB

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

Versions	Environment loading command (via Lmod)
18.1.40	`GCCcore/13.2.0 DB/18.1.40`

DBCSR

DBCSR stands for Distributed Blocked Compressed Sparse Row. DBCSR is a library designed to efficiently perform sparse matrix-matrix multiplication, among other operations.

Versions	Environment loading command (via Lmod)
2.5.0	`GCC/13.2.0 OpenMPI/5.0.3 DBCSR/2.5.0`

DB_File

Perl5 access to Berkeley DB version 1.x.

Versions	Environment loading command (via Lmod)
1.859	`GCCcore/13.2.0 DB_File/1.859`

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	Environment loading command (via Lmod)
1.15.8	`GCCcore/13.2.0 DBus/1.15.8`

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	Environment loading command (via Lmod)
24.1	`GCC/13.2.0 OpenMPI/5.0.3 DFTB+/24.1`

DIRAC

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

Versions	Environment loading command (via Lmod)
24.0	`GCC/13.2.0 OpenMPI/5.0.3 DIRAC/24.0`
25.0	`GCC/13.2.0 OpenMPI/5.0.3 DIRAC/25.0`
24.0-int64	`intel-compilers2023.2.1 impi/2021.10.0 DIRAC/24.0-int64`
25.0-int64	`intel-compilers2023.2.1 impi/2021.10.0 DIRAC/25.0-int64`

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	Environment loading command (via Lmod)
2020.1-SMP	`GCC/13.2.0 Dalton/2020.1-SMP`
2020.1-maxorb-cc-1500	`GCC/13.2.0 OpenMPI/5.0.3 Dalton/2020.1-maxorb-cc-1500`

DendroPy

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

Versions	Environment loading command (via Lmod)
4.5.2	`GCCcore/13.2.0 DendroPy/4.5.2`

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	Environment loading command (via Lmod)
1.9.8	`GCCcore/13.2.0 Doxygen/1.9.8`

ELPA

Eigenvalue SoLvers for Petaflop-Applications.

Versions	Environment loading command (via Lmod)
2019.11.001	`GCC/13.2.0 OpenMPI/5.0.3 ELPA/2019.11.001`
2023.05.001	`GCC/13.2.0 OpenMPI/5.0.3 ELPA/2023.05.001`
2023.11.001	`GCC/13.2.0 OpenMPI/5.0.3 ELPA/2023.11.001`
2025.01.001	`GCC/13.2.0 OpenMPI/5.0.3 ELPA/2025.01.001`
2023.11.001	`intel-compilers2023.2.1 impi/2021.10.0 ELPA/2023.11.001`
2023.11.001-noopenmp	`intel-compilers2023.2.1 impi/2021.10.0 ELPA/2023.11.001-noopenmp`
2023.11.001	`intel-compilers2023.2.1 OpenMPI/5.0.3 ELPA/2023.11.001`

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	Environment loading command (via Lmod)
2.11.0-PEXSI	`GCC/13.2.0 OpenMPI/5.0.3 ELSI/2.11.0-PEXSI`

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	Environment loading command (via Lmod)
6.6.0	`GCC/13.2.0 EMBOSS/6.6.0`

EPANET

EPANET is a software application used throughout the world to model water distribution systems.

Versions	Environment loading command (via Lmod)
2.2.0	`GCC/13.3.0 EPANET/2.2.0`

EXP-T

The EXP-T program package is designed for high-precision modeling of molecular electronic structure using the relativistic Fock space multireference coupled cluster method (FS-RCC).

Versions	Environment loading command (via Lmod)
e3753ab	`GCC/13.2.0 EXP-T/e3753ab`
1.8.4	`intel-compilers2023.2.1 EXP-T/1.8.4`
1.8.5	`intel-compilers2023.2.1 EXP-T/1.8.5`
e3753ab	`intel-compilers2023.2.1 EXP-T/e3753ab`

EasyVVUQ

The aim of EasyVVUQ is to facilitate verification, validation and uncertainty quantification (VVUQ) for a wide variety of simulations.

Versions	Environment loading command (via Lmod)
1.2	`GCCcore/13.2.0 EasyVVUQ/1.2`

Eigen

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

Versions	Environment loading command (via Lmod)
3.4.0	`GCCcore/13.2.0 Eigen/3.4.0`
3.4.0	`GCCcore/13.3.0 Eigen/3.4.0`

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	Environment loading command (via Lmod)
29.1	`GCCcore/13.2.0 Emacs/29.1`

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	Environment loading command (via Lmod)
3.3.10	`GCC/13.2.0 FFTW/3.3.10`
3.3.10	`GCC/13.3.0 FFTW/3.3.10`
3.3.10	`intel-compilers2023.2.1 FFTW/3.3.10`

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	Environment loading command (via Lmod)
3.3.10	`GCC/13.2.0 OpenMPI/5.0.3 FFTW.MPI/3.3.10`
3.3.10	`intel-compilers2023.2.1 impi/2021.10.0 FFTW.MPI/3.3.10`

FFmpeg

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

Versions	Environment loading command (via Lmod)
6.0	`GCCcore/13.2.0 FFmpeg/6.0`

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	Environment loading command (via Lmod)
1.4.2	`GCCcore/13.2.0 FLAC/1.4.2`

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	Environment loading command (via Lmod)
1.3.9	`GCCcore/13.2.0 FLTK/1.3.9`

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	Environment loading command (via Lmod)
3.0.0	`GCCcore/13.2.0 Flask/3.0.0`

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	Environment loading command (via Lmod)
3.3.1	`GCC/13.2.0 FlexiBLAS/3.3.1`
3.4.4	`GCC/13.3.0 FlexiBLAS/3.4.4`

FriBidi

The Free Implementation of the Unicode Bidirectional Algorithm.

Versions	Environment loading command (via Lmod)
1.0.13	`GCCcore/13.2.0 FriBidi/1.0.13`

GAMESS-US

The General Atomic and Molecular Electronic Structure System (GAMESS) is a general ab initio quantum chemistry package.

Versions	Environment loading command (via Lmod)
2024.2	`GCC/13.2.0 OpenMPI/5.0.3 GAMESS-US/2024.2`

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	Environment loading command (via Lmod)
4.5.0.0-Java-21.0.2	`GCCcore/13.2.0 GATK/4.5.0.0-Java-21.0.2`
4.5.0.0-Java-21	`GCCcore/13.2.0 GATK/4.5.0.0-Java-21`
4.6.2.0-Java-17	`GCCcore/13.2.0 GATK/4.6.2.0-Java-17`

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	Environment loading command (via Lmod)
13.2.0	`GCC/13.2.0`
13.3.0	`GCC/13.3.0`

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	Environment loading command (via Lmod)
13.2.0	`GCCcore/13.2.0`
13.3.0	`GCCcore/13.3.0`

GDB

The GNU Project Debugger

Versions	Environment loading command (via Lmod)
13.2	`GCCcore/13.2.0 GDB/13.2`

GDCM

Grassroots DICOM: Cross-platform DICOM implementation

Versions	Environment loading command (via Lmod)
3.0.21	`GCCcore/13.2.0 GDCM/3.0.21`

GL2PS

GL2PS: an OpenGL to PostScript printing library

Versions	Environment loading command (via Lmod)
1.4.2	`GCCcore/13.2.0 GL2PS/1.4.2`

GLM

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

Versions	Environment loading command (via Lmod)
0.9.9.8	`GCCcore/13.2.0 GLM/0.9.9.8`

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	Environment loading command (via Lmod)
5.0	`GCCcore/13.2.0 GLPK/5.0`

GLib

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

Versions	Environment loading command (via Lmod)
2.78.1	`GCCcore/13.2.0 GLib/2.78.1`

GMAP-GSNAP

GMAP: A Genomic Mapping and Alignment Program for mRNA and EST Sequences GSNAP: Genomic Short-read Nucleotide Alignment Program

Versions	Environment loading command (via Lmod)
2023-04-20	`GCC/13.2.0 GMAP-GSNAP/2023-04-20`

GMP

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

Versions	Environment loading command (via Lmod)
6.3.0	`GCCcore/13.2.0 GMP/6.3.0`

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	Environment loading command (via Lmod)
1.78.1	`GCCcore/13.2.0 GObject-Introspection/1.78.1`

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	Environment loading command (via Lmod)
2024.3-CP2K-2025.1	`GCC/13.2.0 OpenMPI/5.0.3 GROMACS/2024.3-CP2K-2025.1`
2025.1	`GCC/13.2.0 OpenMPI/5.0.3 GROMACS/2025.1`
2021.4-PLUMED-2.7.6	`intel-compilers2023.2.1 impi/2021.10.0 GROMACS/2021.4-PLUMED-2.7.6`
2024.1	`intel-compilers2023.2.1 impi/2021.10.0 GROMACS/2024.1`
2024.3-PLUMED-2.9.3	`intel-compilers2023.2.1 impi/2021.10.0 GROMACS/2024.3-PLUMED-2.9.3`
2024.1	`CrayCCE/23.12 GROMACS/2024.1`
2025.1	`CrayCCE/23.12 GROMACS/2025.1`

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	Environment loading command (via Lmod)
2.7	`GCC/13.2.0 GSL/2.7`
2.7	`intel-compilers2023.2.1 GSL/2.7`

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	Environment loading command (via Lmod)
3.24.39	`GCCcore/13.2.0 GTK3/3.24.39`

Gaussian

No description available

Versions	Environment loading command (via Lmod)
g16.C.01	`Gaussian/g16.C.01`

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	Environment loading command (via Lmod)
2.42.10	`GCCcore/13.2.0 Gdk-Pixbuf/2.42.10`

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	Environment loading command (via Lmod)
11.1.3	`GCC/13.2.0 Geant4/11.1.3`
11.2.2	`GCC/13.2.0 Geant4/11.2.2`

Geant4-data

Datasets for Geant4.

Versions	Environment loading command (via Lmod)
11.1.3	`Geant4-data/11.1.3`
11.2.2	`Geant4-data/11.2.2`

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	Environment loading command (via Lmod)
10.02.1	`GCCcore/13.2.0 Ghostscript/10.02.1`

GlobalArrays

Global Arrays (GA) is a Partitioned Global Address Space (PGAS) programming model

Versions	Environment loading command (via Lmod)
5.8.2	`intel-compilers2023.2.1 impi/2021.10.0 GlobalArrays/5.8.2`

Go

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

Versions	Environment loading command (via Lmod)
1.22.1	`Go/1.22.1`
1.23.6	`Go/1.23.6`

GraphicsMagick

GraphicsMagick is the swiss army knife of image processing.

Versions	Environment loading command (via Lmod)
1.3.45	`GCCcore/13.2.0 GraphicsMagick/1.3.45`

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	Environment loading command (via Lmod)
3.0.3	`GCCcore/13.2.0 Greenlet/3.0.3`

H5Part

H5part (HDF5 Particle Parallel I/O Library)

Versions	Environment loading command (via Lmod)
1.6.5	`intel-compilers2023.2.1 impi/2021.10.0 H5Part/1.6.5`

HAlign

HAlign 3: Fast multiple alignment of ultra-large numbers of similar DNA/RNA sequences

Versions	Environment loading command (via Lmod)
3.0.0-Java-21.0.2	`HAlign/3.0.0-Java-21.0.2`

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	Environment loading command (via Lmod)
1.14.3-threadsafe	`GCC/13.2.0 HDF5/1.14.3-threadsafe`
1.14.3-serial	`intel-compilers2023.2.1 HDF5/1.14.3-serial`
1.14.3	`AOCC/5.0.0 OpenMPI/5.0.3 HDF5/1.14.3`
1.10.11	`GCC/13.2.0 OpenMPI/5.0.3 HDF5/1.10.11`
1.14.3	`GCC/13.2.0 OpenMPI/5.0.3 HDF5/1.14.3`
1.14.3	`intel-compilers2023.2.1 impi/2021.10.0 HDF5/1.14.3`
1.8.12	`intel-compilers2023.2.1 impi/2021.10.0 HDF5/1.8.12`
1.14.3	`intel-compilers2023.2.1 OpenMPI/5.0.3 HDF5/1.14.3`
1.14.3	`CrayCCE/23.12 HDF5/1.14.3`

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	Environment loading command (via Lmod)
2.2.1	`GCC/13.2.0 OpenMPI/5.0.3 HISAT2/2.2.1`

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	Environment loading command (via Lmod)
3.3.2	`GCC/13.2.0 OpenMPI/5.0.3 HMMER/3.3.2`
3.4	`GCC/13.2.0 OpenMPI/5.0.3 HMMER/3.4`

HTSlib

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

Versions	Environment loading command (via Lmod)
1.19.1	`GCC/13.2.0 HTSlib/1.19.1`

HarfBuzz

HarfBuzz is an OpenType text shaping engine.

Versions	Environment loading command (via Lmod)
8.2.2	`GCCcore/13.2.0 HarfBuzz/8.2.2`

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	Environment loading command (via Lmod)
2.31.0	`GCC/13.2.0 OpenMPI/5.0.3 Hypre/2.31.0`
2.6.0b	`GCC/13.2.0 OpenMPI/5.0.3 Hypre/2.6.0b`
2.31.0	`intel-compilers2023.2.1 impi/2021.10.0 Hypre/2.31.0`

ICU

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

Versions	Environment loading command (via Lmod)
74.1	`GCCcore/13.2.0 ICU/74.1`
75.1	`GCCcore/13.3.0 ICU/75.1`

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	Environment loading command (via Lmod)
8.17.2	`GCCcore/13.2.0 IPython/8.17.2`

IQ-TREE

Efficient phylogenomic software by maximum likelihood

Versions	Environment loading command (via Lmod)
2.2.2.7	`GCC/13.2.0 OpenMPI/5.0.3 IQ-TREE/2.2.2.7`

ISA-L

Intelligent Storage Acceleration Library

Versions	Environment loading command (via Lmod)
2.31.0	`GCCcore/13.2.0 ISA-L/2.31.0`

ISL

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

Versions	Environment loading command (via Lmod)
0.26	`GCCcore/13.2.0 ISL/0.26`

ImageMagick

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

Versions	Environment loading command (via Lmod)
7.1.1-34	`GCCcore/13.2.0 ImageMagick/7.1.1-34`

Imath

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

Versions	Environment loading command (via Lmod)
3.1.9	`GCCcore/13.2.0 Imath/3.1.9`

Infernal

Infernal ("INFERence of RNA ALignment

Versions	Environment loading command (via Lmod)
1.1.5	`GCC/13.2.0 OpenMPI/5.0.3 Infernal/1.1.5`

Inspector

Intel Inspector is a dynamic memory and threading error checking tool for users developing serial and parallel applications

Versions	Environment loading command (via Lmod)
2023.2.0	`Inspector/2023.2.0`

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	Environment loading command (via Lmod)
4.0.0	`GCCcore/13.2.0 JasPer/4.0.0`

Java

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

Versions	Environment loading command (via Lmod)
11.0.27	`Java/11.0.27`
17.0.15	`Java/17.0.15`
21.0.2	`Java/21.0.2`

Jellyfish

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

Versions	Environment loading command (via Lmod)
2.3.0	`GCC/13.2.0 Jellyfish/2.3.0`

Judy

A C library that implements a dynamic array.

Versions	Environment loading command (via Lmod)
1.0.5	`GCCcore/13.2.0 Judy/1.0.5`

Julia

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

Versions	Environment loading command (via Lmod)
1.11.6-linux-x86_64	`Julia/1.11.6-linux-x86_64`

Jupyter-bundle

This bundle collects a range of Jupyter interfaces (Lab, Notebook and nbclassic), extensions (Jupyter Server Proxy, Jupyter Resource Monitor, Jupyter Lmod) and the JupyterHub.

Versions	Environment loading command (via Lmod)
20240522	`GCCcore/13.2.0 Jupyter-bundle/20240522`

JupyterHub

JupyterHub is a multiuser version of the Jupyter (IPython) notebook designed for centralized deployments in companies, university classrooms and research labs.

Versions	Environment loading command (via Lmod)
4.1.5	`GCCcore/13.2.0 JupyterHub/4.1.5`

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	Environment loading command (via Lmod)
4.2.0	`GCCcore/13.2.0 JupyterLab/4.2.0`

JupyterNotebook

The Jupyter Notebook is the original web application for creating and sharing computational documents. It offers a simple, streamlined, document-centric experience.

Versions	Environment loading command (via Lmod)
7.2.0	`GCCcore/13.2.0 JupyterNotebook/7.2.0`

KAT

The K-mer Analysis Toolkit (KAT) contains a number of tools that analyse and compare K-mer spectra.

Versions	Environment loading command (via Lmod)
2.4.2-Python-3.11.5	`GCC/13.2.0 OpenMPI/5.0.3 KAT/2.4.2-Python-3.11.5`

KaHIP

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

Versions	Environment loading command (via Lmod)
3.16	`GCC/13.2.0 OpenMPI/5.0.3 KaHIP/3.16`

LAME

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

Versions	Environment loading command (via Lmod)
3.100	`GCCcore/13.2.0 LAME/3.100`

LAMMPS

LAMMPS Molecular Dynamics Simulator

Versions	Environment loading command (via Lmod)
27Jun2024	`intel-compilers2023.2.1 impi/2021.10.0 LAMMPS/27Jun2024`
29Aug2024	`intel-compilers2023.2.1 impi/2021.10.0 LAMMPS/29Aug2024`
29Aug2024_update1	`intel-compilers2023.2.1 impi/2021.10.0 LAMMPS/29Aug2024_update1`

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	Environment loading command (via Lmod)
14.0.6-llvmlite	`GCCcore/13.2.0 LLVM/14.0.6-llvmlite`
16.0.6	`GCCcore/13.2.0 LLVM/16.0.6`

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	Environment loading command (via Lmod)
0.9.31	`GCCcore/13.2.0 LMDB/0.9.31`

LSD2

Least-squares methods to estimate rates and dates from phylogenies

Versions	Environment loading command (via Lmod)
2.4.1	`GCCcore/13.2.0 LSD2/2.4.1`

LZO

Portable lossless data compression library

Versions	Environment loading command (via Lmod)
2.10	`GCCcore/13.2.0 LZO/2.10`

Leptonica

Leptonica is a collection of pedagogically-oriented open source software that is broadly useful for image processing and image analysis applications.

Versions	Environment loading command (via Lmod)
1.85.0	`GCCcore/13.2.0 Leptonica/1.85.0`

LibTIFF

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

Versions	Environment loading command (via Lmod)
4.6.0	`GCCcore/13.2.0 LibTIFF/4.6.0`

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	Environment loading command (via Lmod)
2.7.2-lmax-6-cp2k	`GCC/13.2.0 Libint/2.7.2-lmax-6-cp2k`
2.7.2-lmax-6-cp2k	`intel-compilers2023.2.1 Libint/2.7.2-lmax-6-cp2k`

LittleCMS

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

Versions	Environment loading command (via Lmod)
2.15	`GCCcore/13.2.0 LittleCMS/2.15`

LocARNA

LocARNA is a collection of alignment tools for the structural analysis of RNA. Given a set of RNA sequences, LocARNA simultaneously aligns and predicts common structures for your RNAs. In this way, LocARNA performs Sankoff-like alignment and is in particular suited for analyzing sets of related RNAs without known common structure.

Versions	Environment loading command (via Lmod)
1.9.2.3	`GCC/13.2.0 OpenMPI/5.0.3 LocARNA/1.9.2.3`

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	Environment loading command (via Lmod)
5.4.6	`GCCcore/13.2.0 Lua/5.4.6`
5.3.5	`Lua/5.3.5`

LuaRocks

LuaRocks is the package manager for Lua modules. It allows you to create and install Lua modules as self-contained packages called rocks.

Versions	Environment loading command (via Lmod)
3.11.1	`LuaRocks/3.11.1`

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	Environment loading command (via Lmod)
1.4.19	`GCCcore/13.2.0 M4/1.4.19`
1.4.19	`GCCcore/13.3.0 M4/1.4.19`
1.4.18	`M4/1.4.18`
1.4.19	`M4/1.4.19`

MATIO

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

Versions	Environment loading command (via Lmod)
1.5.26	`GCCcore/13.2.0 MATIO/1.5.26`

MATLAB

MATLAB: The Language of Technical Computing

Versions	Environment loading command (via Lmod)
R2024b	`MATLAB/R2024b`

MEGAHIT

An ultra-fast single-node solution for large and complex metagenomics assembly via succinct de Bruijn graph

Versions	Environment loading command (via Lmod)
1.2.9	`GCCcore/13.2.0 MEGAHIT/1.2.9`

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	Environment loading command (via Lmod)
5.1.0	`GCCcore/13.2.0 METIS/5.1.0`

MMseqs2

MMseqs2: ultra fast and sensitive search and clustering suite

Versions	Environment loading command (via Lmod)
17-b804f	`GCCcore/13.2.0 MMseqs2/17-b804f`

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	Environment loading command (via Lmod)
1.3.1	`GCCcore/13.2.0 MPC/1.3.1`

MPFR

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

Versions	Environment loading command (via Lmod)
4.2.1	`GCCcore/13.2.0 MPFR/4.2.1`

MUMPS

A parallel sparse direct solver

Versions	Environment loading command (via Lmod)
5.6.1-metis	`GCC/13.2.0 OpenMPI/5.0.3 MUMPS/5.6.1-metis`
5.7.2-parmetis	`GCC/13.2.0 OpenMPI/5.0.3 MUMPS/5.7.2-parmetis`
5.7.2-parmetis	`intel-compilers2023.2.1 impi/2021.10.0 MUMPS/5.7.2-parmetis`

MVAPICH

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

Versions	Environment loading command (via Lmod)
3.0-threadsafe	`GCC/13.2.0 MVAPICH/3.0-threadsafe`
3.0	`intel-compilers2023.2.1 MVAPICH/3.0`
3.0	`MVAPICH/3.0`

Mako

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

Versions	Environment loading command (via Lmod)
1.2.4	`GCCcore/13.2.0 Mako/1.2.4`

MariaDB

MariaDB is an enhanced, drop-in replacement for MySQL. Included engines: myISAM, Aria, InnoDB, RocksDB, TokuDB, OQGraph, Mroonga.

Versions	Environment loading command (via Lmod)
11.6.0	`GCC/13.2.0 MariaDB/11.6.0`

Mathematica

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

Versions	Environment loading command (via Lmod)
14.1	`Mathematica/14.1`

Mesa

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

Versions	Environment loading command (via Lmod)
23.1.9	`GCCcore/13.2.0 Mesa/23.1.9`

Meson

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

Versions	Environment loading command (via Lmod)
1.2.3	`GCCcore/13.2.0 Meson/1.2.3`
1.4.0	`GCCcore/13.2.0 Meson/1.4.0`
1.4.0	`GCCcore/13.3.0 Meson/1.4.0`

MetaEuk

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

Versions	Environment loading command (via Lmod)
6	`GCC/13.2.0 MetaEuk/6`

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	Environment loading command (via Lmod)
2024-07-31T15-58-33Z	`MinIO-Client/2024-07-31T15-58-33Z`
2025-02-04T04-57-50Z	`MinIO-Client/2025-02-04T04-57-50Z`

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	Environment loading command (via Lmod)
23.9.0-0	`Miniconda3/23.9.0-0`

Molpro

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

Versions	Environment loading command (via Lmod)
mpp-2024.3.0.linux_x86_64_mpipr	`Molpro/mpp-2024.3.0.linux_x86_64_mpipr`

NASM

NASM: General-purpose x86 assembler

Versions	Environment loading command (via Lmod)
2.16.01	`GCCcore/13.2.0 NASM/2.16.01`

NCIPLOT

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

Versions	Environment loading command (via Lmod)
4.2-20221021	`GCC/13.2.0 NCIPLOT/4.2-20221021`

NSPR

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

Versions	Environment loading command (via Lmod)
4.35	`GCCcore/13.2.0 NSPR/4.35`

NSS

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

Versions	Environment loading command (via Lmod)
3.94	`GCCcore/13.2.0 NSS/3.94`

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	Environment loading command (via Lmod)
3.1.0	`GCC/13.2.0 OpenMPI/5.0.3 NTPoly/3.1.0`

Nextflow

Nextflow is a reactive workflow framework and a programming DSL that eases writing computational pipelines with complex data

Versions	Environment loading command (via Lmod)
24.10.2	`Nextflow/24.10.2`

Ninja

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

Versions	Environment loading command (via Lmod)
1.11.1	`GCCcore/13.2.0 Ninja/1.11.1`
1.12.1	`GCCcore/13.3.0 Ninja/1.12.1`

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	Environment loading command (via Lmod)
5.0.4	`GCC/13.2.0 OpenMPI/5.0.3 ORCA/5.0.4`
6.0.0	`GCC/13.2.0 OpenMPI/5.0.3 ORCA/6.0.0`
6.0.1	`GCC/13.2.0 OpenMPI/5.0.3 ORCA/6.0.1`
6.1.0	`GCC/13.2.0 OpenMPI/5.0.3 ORCA/6.1.0`

OSU-Micro-Benchmarks

OSU Micro-Benchmarks

Versions	Environment loading command (via Lmod)
7.4	`GCC/13.2.0 OpenMPI/5.0.3 OSU-Micro-Benchmarks/7.4`
7.4	`intel-compilers2023.2.1 impi/2021.10.0 OSU-Micro-Benchmarks/7.4`
7.4	`intel-compilers2023.2.1 OpenMPI/5.0.3 OSU-Micro-Benchmarks/7.4`

Octave

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

Versions	Environment loading command (via Lmod)
9.4.0	`GCC/13.2.0 OpenMPI/5.0.3 Octave/9.4.0`

OpenBLAS

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

Versions	Environment loading command (via Lmod)
0.3.24-ILP64	`GCC/13.2.0 OpenBLAS/0.3.24-ILP64`
0.3.24	`GCC/13.2.0 OpenBLAS/0.3.24`
0.3.27	`GCC/13.3.0 OpenBLAS/0.3.27`

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	Environment loading command (via Lmod)
3.1.1	`GCC/13.2.0 OpenMPI/5.0.3 OpenBabel/3.1.1`

OpenEXR

OpenEXR is a high dynamic-range (HDR) image file format developed by Industrial Light & Magic for use in computer imaging applications

Versions	Environment loading command (via Lmod)
3.2.0	`GCCcore/13.2.0 OpenEXR/3.2.0`

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	Environment loading command (via Lmod)
v2406	`GCC/13.2.0 OpenMPI/5.0.3 OpenFOAM/v2406`

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	Environment loading command (via Lmod)
2.5.0	`GCCcore/13.2.0 OpenJPEG/2.5.0`

OpenMPI

The Open MPI Project is an open source MPI-3 implementation.

Versions	Environment loading command (via Lmod)
5.0.3	`AOCC/5.0.0 OpenMPI/5.0.3`
5.0.3	`GCC/13.2.0 OpenMPI/5.0.3`
5.0.3	`intel-compilers2023.2.1 OpenMPI/5.0.3`

OpenPGM

OpenPGM is an open source implementation of the Pragmatic General Multicast (PGM) specification in RFC 3208 available at www.ietf.org. 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	Environment loading command (via Lmod)
5.2.122	`GCCcore/13.2.0 OpenPGM/5.2.122`

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	Environment loading command (via Lmod)
1.1	`OpenSSL/1.1`
3	`OpenSSL/3`

OpenTOPAS

TOPAS: Tool for Particle Simulation

Versions	Environment loading command (via Lmod)
4.0.0	`GCC/13.2.0 OpenMPI/5.0.3 OpenTOPAS/4.0.0`

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	Environment loading command (via Lmod)
8.45	`GCCcore/13.2.0 PCRE/8.45`

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	Environment loading command (via Lmod)
10.42	`GCCcore/13.2.0 PCRE2/10.42`

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	Environment loading command (via Lmod)
3.23.3	`GCC/13.2.0 OpenMPI/5.0.3 PETSc/3.23.3`
3.23.3-debug	`intel-compilers2023.2.1 impi/2021.10.0 PETSc/3.23.3-debug`
3.23.3	`intel-compilers2023.2.1 impi/2021.10.0 PETSc/3.23.3`

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	Environment loading command (via Lmod)
2.9.0	`GCC/13.2.0 OpenMPI/5.0.3 PLUMED/2.9.0`
2.9.3	`GCC/13.2.0 OpenMPI/5.0.3 PLUMED/2.9.3`
2.7.6	`intel-compilers2023.2.1 impi/2021.10.0 PLUMED/2.7.6`
2.9.0	`intel-compilers2023.2.1 impi/2021.10.0 PLUMED/2.9.0`
2.9.3	`intel-compilers2023.2.1 impi/2021.10.0 PLUMED/2.9.3`

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	Environment loading command (via Lmod)
5.0.3	`GCCcore/13.2.0 PMIx/5.0.3`

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	Environment loading command (via Lmod)
3.7.0.10	`GCC/13.2.0 POV-Ray/3.7.0.10`

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	Environment loading command (via Lmod)
1.51.0	`GCCcore/13.2.0 Pango/1.51.0`

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	Environment loading command (via Lmod)
4.0.3	`GCC/13.2.0 OpenMPI/5.0.3 ParMETIS/4.0.3`
4.0.3	`intel-compilers2023.2.1 impi/2021.10.0 ParMETIS/4.0.3`

ParaView

ParaView is a scientific parallel visualizer.

Versions	Environment loading command (via Lmod)
5.12.0	`GCC/13.2.0 OpenMPI/5.0.3 ParaView/5.12.0`

Peridigm

Peridigm is an open-source computational peridynamics code developed at Sandia National Laboratories for massively-parallel multi-physics simulations.

Versions	Environment loading command (via Lmod)
1.5.4-82c6ad8	`GCC/13.2.0 OpenMPI/5.0.3 Peridigm/1.5.4-82c6ad8`

Perl

Larry Wall's Practical Extraction and Report Language Includes a small selection of extra CPAN packages for core functionality.

Versions	Environment loading command (via Lmod)
5.38.0	`GCCcore/13.2.0 Perl/5.38.0`
5.38.2	`GCCcore/13.3.0 Perl/5.38.2`

Perl-bundle-CPAN

A set of common packages from CPAN

Versions	Environment loading command (via Lmod)
5.38.0	`GCCcore/13.2.0 Perl-bundle-CPAN/5.38.0`

Pillow

Pillow is the 'friendly PIL fork' by Alex Clark and Contributors. PIL is the Python Imaging Library by Fredrik Lundh and Contributors.

Versions	Environment loading command (via Lmod)
10.2.0	`GCCcore/13.2.0 Pillow/10.2.0`

PnetCDF

Parallel netCDF: A Parallel I/O Library for NetCDF File Access

Versions	Environment loading command (via Lmod)
1.12.3	`GCC/13.2.0 OpenMPI/5.0.3 PnetCDF/1.12.3`
1.12.3	`intel-compilers2023.2.1 impi/2021.10.0 PnetCDF/1.12.3`

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	Environment loading command (via Lmod)
16.1	`GCCcore/13.2.0 PostgreSQL/16.1`

PrgEnv-cray

No description available

Versions	Environment loading command (via Lmod)
8.5	`PrgEnv-cray/8.5`

PyYAML

PyYAML is a YAML parser and emitter for the Python programming language.

Versions	Environment loading command (via Lmod)
6.0.1	`GCCcore/13.2.0 PyYAML/6.0.1`

PyZMQ

Python bindings for ZeroMQ

Versions	Environment loading command (via Lmod)
25.1.2	`GCCcore/13.2.0 PyZMQ/25.1.2`

PycURL

PycURL is a Python interface to libcurl. PycURL can be used to fetch objects identified by a URL from a Python program, similar to the urllib Python module. PycURL is mature, very fast, and supports a lot of features.

Versions	Environment loading command (via Lmod)
7.45.3	`GCCcore/13.2.0 PycURL/7.45.3`

Python

Python is a programming language that lets you work more quickly and integrate your systems more effectively.

Versions	Environment loading command (via Lmod)
3.11.5	`GCCcore/13.2.0 Python/3.11.5`
3.12.3	`GCCcore/13.3.0 Python/3.12.3`

Python-bundle-PyPI

Bundle of Python packages from PyPI

Versions	Environment loading command (via Lmod)
2023.10	`GCCcore/13.2.0 Python-bundle-PyPI/2023.10`
2024.06	`GCCcore/13.3.0 Python-bundle-PyPI/2024.06`

Q-Chem

Q-Chem 6.2

Versions	Environment loading command (via Lmod)
6.2-smp	`Q-Chem/6.2-smp`
6.3-smp	`Q-Chem/6.3-smp`

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	Environment loading command (via Lmod)
2020.2	`GCCcore/13.2.0 Qhull/2020.2`

Qt5

Qt is a comprehensive cross-platform C++ application framework.

Versions	Environment loading command (via Lmod)
5.15.13	`GCCcore/13.2.0 Qt5/5.15.13`

Qt6

Qt is a comprehensive cross-platform C++ application framework.

Versions	Environment loading command (via Lmod)
6.6.3	`GCCcore/13.2.0 Qt6/6.6.3`

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	Environment loading command (via Lmod)
6.7	`GCC/13.2.0 OpenMPI/5.0.3 QuantumESPRESSO/6.7`
7.3.1	`GCC/13.2.0 OpenMPI/5.0.3 QuantumESPRESSO/7.3.1`
7.5	`GCC/13.2.0 OpenMPI/5.0.3 QuantumESPRESSO/7.5`
6.7	`intel-compilers2023.2.1 impi/2021.10.0 QuantumESPRESSO/6.7`
7.3	`intel-compilers2023.2.1 OpenMPI/5.0.3 QuantumESPRESSO/7.3`
7.3-nsx-50	`intel-compilers2023.2.1 OpenMPI/5.0.3 QuantumESPRESSO/7.3-nsx-50`

Qwt

The Qwt library contains GUI Components and utility classes which are primarily useful for programs with a technical background.

Versions	Environment loading command (via Lmod)
6.3.0	`GCCcore/13.2.0 Qwt/6.3.0`

R

R is a free software environment for statistical computing and graphics.

Versions	Environment loading command (via Lmod)
4.3.3	`GCC/13.2.0 R/4.3.3`
4.5.1	`GCC/13.2.0 R/4.5.1`

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	Environment loading command (via Lmod)
6.28.12	`GCC/13.2.0 OpenMPI/5.0.3 ROOT/6.28.12`
6.30.06	`GCC/13.2.0 OpenMPI/5.0.3 ROOT/6.30.06`
6.32.04	`GCC/13.2.0 OpenMPI/5.0.3 ROOT/6.32.04`

RSEM

RNA-Seq by Expectation-Maximization

Versions	Environment loading command (via Lmod)
1.3.3	`GCC/13.2.0 OpenMPI/5.0.3 RSEM/1.3.3`

RapidJSON

A fast JSON parser/generator for C++ with both SAX/DOM style API

Versions	Environment loading command (via Lmod)
1.1.0-20240409	`GCCcore/13.2.0 RapidJSON/1.1.0-20240409`

Rcorrector

Rcorrector(RNA-seq error CORRECTOR) is a kmer-based error correction method for RNA-seq data.

Versions	Environment loading command (via Lmod)
1.0.2	`GCC/13.2.0 OpenMPI/5.0.3 Rcorrector/1.0.2`

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	Environment loading command (via Lmod)
3.4.2	`GCCcore/13.2.0 Ruby/3.4.2`

Rust

Rust is a systems programming language that runs blazingly fast, prevents segfaults, and guarantees thread safety.

Versions	Environment loading command (via Lmod)
1.73.0	`GCCcore/13.2.0 Rust/1.73.0`
1.76.0	`GCCcore/13.2.0 Rust/1.76.0`
1.78.0	`GCCcore/13.3.0 Rust/1.78.0`

S-Lang

S-Lang is a multi-platform programmer's library designed to allow a developer to create robust multi-platform software. It provides facilities required by interactive applications such as display/screen management, keyboard input, keymaps, and so on.

Versions	Environment loading command (via Lmod)
2.3.0	`S-Lang/2.3.0`

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	Environment loading command (via Lmod)
1.19.2	`GCC/13.2.0 SAMtools/1.19.2`

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	Environment loading command (via Lmod)
7.0.4	`GCC/13.2.0 OpenMPI/5.0.3 SCOTCH/7.0.4`
7.0.4	`intel-compilers2023.2.1 impi/2021.10.0 SCOTCH/7.0.4`

SDL2

SDL: Simple DirectMedia Layer, a cross-platform multimedia library

Versions	Environment loading command (via Lmod)
2.28.5	`GCCcore/13.2.0 SDL2/2.28.5`

SEPP

SATe-enabled Phylogenetic Placement - addresses the problem of phylogenetic placement of short reads into reference alignments and trees.

Versions	Environment loading command (via Lmod)
4.5.1	`GCC/13.2.0 OpenMPI/5.0.3 SEPP/4.5.1`

SLEPc

SLEPc (Scalable Library for Eigenvalue Problem Computations) is a software library for the solution of large scale sparse eigenvalue problems on parallel computers. It is an extension of PETSc and can be used for either standard or generalized eigenproblems, with real or complex arithmetic. It can also be used for computing a partial SVD of a large, sparse, rectangular matrix, and to solve quadratic eigenvalue problems.

Versions	Environment loading command (via Lmod)
3.23.1	`GCC/13.2.0 OpenMPI/5.0.3 SLEPc/3.23.1`
3.23.1	`intel-compilers2023.2.1 impi/2021.10.0 SLEPc/3.23.1`

SPLA

No description available

Versions	Environment loading command (via Lmod)
1.6.1	`GCC/13.2.0 OpenMPI/5.0.3 SPLA/1.6.1`
1.5.5	`intel-compilers2023.2.1 impi/2021.10.0 SPLA/1.5.5`

SQLAlchemy

SQLAlchemy is the Python SQL toolkit and Object Relational Mapper that gives application developers the full power and flexibility of SQL. SQLAlchemy provides a full suite of well known enterprise-level persistence patterns, designed for efficient and high-performing database access, adapted into a simple and Pythonic domain language.

Versions	Environment loading command (via Lmod)
2.0.29	`GCCcore/13.2.0 SQLAlchemy/2.0.29`

SQLite

SQLite: SQL Database Engine in a C Library

Versions	Environment loading command (via Lmod)
3.43.1	`GCCcore/13.2.0 SQLite/3.43.1`
3.45.3	`GCCcore/13.3.0 SQLite/3.45.3`

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	Environment loading command (via Lmod)
3.1.1	`GCC/13.2.0 OpenMPI/5.0.3 SRA-Toolkit/3.1.1`

STAR

STAR aligns RNA-seq reads to a reference genome using uncompressed suffix arrays.

Versions	Environment loading command (via Lmod)
2.7.11b	`GCC/13.2.0 STAR/2.7.11b`

STRUMPACK

STRUMPACK - STRUctured Matrix PACKage - Fast linear solvers and preconditioner for both dense and sparse systems using low-rank structured factorization with randomized sampling.

Versions	Environment loading command (via Lmod)
7.1.0	`GCC/13.2.0 OpenMPI/5.0.3 STRUMPACK/7.1.0`
8.0.0	`GCC/13.2.0 OpenMPI/5.0.3 STRUMPACK/8.0.0`
7.1.0	`intel-compilers2023.2.1 impi/2021.10.0 STRUMPACK/7.1.0`
8.0.0	`intel-compilers2023.2.1 impi/2021.10.0 STRUMPACK/8.0.0`

SUNDIALS

SUNDIALS: SUite of Nonlinear and DIfferential/ALgebraic Equation Solvers

Versions	Environment loading command (via Lmod)
6.3.0	`GCC/13.2.0 OpenMPI/5.0.3 SUNDIALS/6.3.0`

SWIG

SWIG is a software development tool that connects programs written in C and C++ with a variety of high-level programming languages.

Versions	Environment loading command (via Lmod)
4.1.1	`GCCcore/13.2.0 SWIG/4.1.1`

Salmon

Salmon is a wicked-fast program to produce a highly-accurate, transcript-level quantification estimate from RNA-seq data.

Versions	Environment loading command (via Lmod)
1.10.3	`GCC/13.2.0 Salmon/1.10.3`

ScaLAPACK

The ScaLAPACK (or Scalable LAPACK) library includes a subset of LAPACK routines redesigned for distributed memory MIMD parallel computers.

Versions	Environment loading command (via Lmod)
2.2.0-fb	`GCC/13.2.0 OpenMPI/5.0.3 ScaLAPACK/2.2.0-fb`

SciPy-bundle

Bundle of Python packages for scientific software

Versions	Environment loading command (via Lmod)
2023.11	`GCC/13.2.0 SciPy-bundle/2023.11`
2024.05	`GCC/13.3.0 SciPy-bundle/2024.05`
2023.11	`intel-compilers2023.2.1 SciPy-bundle/2023.11`

Simple-DFTD3

Reimplementation of the D3 dispersion correction. The s-dftd3 project aims to provide a user-friendly and uniform interface to the D3 dispersion model and for the calculation of DFT-D3 dispersion corrections.

Versions	Environment loading command (via Lmod)
1.2.1	`GCC/13.2.0 Simple-DFTD3/1.2.1`
1.2.1	`intel-compilers2023.2.1 Simple-DFTD3/1.2.1`

SuiteSparse

SuiteSparse is a collection of libraries to manipulate sparse matrices.

Versions	Environment loading command (via Lmod)
7.7.0	`GCC/13.2.0 SuiteSparse/7.7.0`
7.7.0	`intel-compilers2023.2.1 SuiteSparse/7.7.0`
5.13.0-METIS-5.1.0	`GCC/13.2.0 OpenMPI/5.0.3 SuiteSparse/5.13.0-METIS-5.1.0`
7.1.0	`GCC/13.2.0 OpenMPI/5.0.3 SuiteSparse/7.1.0`
7.1.0-METIS-5.1.0	`GCC/13.2.0 OpenMPI/5.0.3 SuiteSparse/7.1.0-METIS-5.1.0`

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	Environment loading command (via Lmod)
8.2.1	`GCC/13.2.0 OpenMPI/5.0.3 SuperLU_DIST/8.2.1`
8.2.1	`intel-compilers2023.2.1 impi/2021.10.0 SuperLU_DIST/8.2.1`

Szip

Szip compression software, providing lossless compression of scientific data

Versions	Environment loading command (via Lmod)
2.1.1	`GCCcore/13.2.0 Szip/2.1.1`
2.1.1	`Szip/2.1.1`

TOML-Fortran

TOML parser for Fortran projects

Versions	Environment loading command (via Lmod)
0.4.2	`GCC/13.2.0 TOML-Fortran/0.4.2`
0.4.2	`intel-compilers2023.2.1 TOML-Fortran/0.4.2`

TOPAS

TOPAS wraps and extends the Geant4 Simulation Toolkit to make advanced Monte Carlo simulation of all forms of radiotherapy easier to use for medical physicists.

Versions	Environment loading command (via Lmod)
3.9	`GCC/13.2.0 OpenMPI/5.0.3 TOPAS/3.9`

TRAVIS

TRAVIS is a free tool for analyzing and visualizing trajectories from all kinds of Molecular Dynamics or Monte Carlo simulations. It is intended to be easy to install and easy to use.

Versions	Environment loading command (via Lmod)
220729	`GCC/13.2.0 TRAVIS/220729`

TURBOMOLE

TURBOMOLE v 7.9 quantum chemistry chemistry package, SMP version

Versions	Environment loading command (via Lmod)
7.9-SMP	`TURBOMOLE/7.9-SMP`

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	Environment loading command (via Lmod)
8.6.13	`GCCcore/13.2.0 Tcl/8.6.13`
8.6.14	`GCCcore/13.3.0 Tcl/8.6.14`
8.6.13	`Tcl/8.6.13`

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	Environment loading command (via Lmod)
3.2	`GCC/13.2.0 OpenMPI/5.0.3 TheoDORE/3.2`

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	Environment loading command (via Lmod)
8.6.13	`GCCcore/13.2.0 Tk/8.6.13`

Tkinter

Tkinter module, built with the Python buildsystem

Versions	Environment loading command (via Lmod)
3.11.5	`GCCcore/13.2.0 Tkinter/3.11.5`

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	Environment loading command (via Lmod)
13.4.0-Python-3.11.5	`GCC/13.2.0 OpenMPI/5.0.3 Trilinos/13.4.0-Python-3.11.5`
16.1.0-Python-3.11.5	`GCC/13.2.0 OpenMPI/5.0.3 Trilinos/16.1.0-Python-3.11.5`

Trimmomatic

Trimmomatic performs a variety of useful trimming tasks for illumina paired-end and single ended data.The selection of trimming steps and their associated parameters are supplied on the command line.

Versions	Environment loading command (via Lmod)
0.39-Java-21.0.2	`Trimmomatic/0.39-Java-21.0.2`

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	Environment loading command (via Lmod)
2.15.1	`GCC/13.2.0 OpenMPI/5.0.3 Trinity/2.15.1`

Uintah

The Uintah software suite is a set of libraries and applications for simulating and analyzing complex chemical and physical reactions.

Versions	Environment loading command (via Lmod)
516079d	`GCC/13.2.0 OpenMPI/5.0.3 Uintah/516079d`

UnZip

UnZip is an extraction utility for archives compressed in .zip format (also called "zipfiles

Versions	Environment loading command (via Lmod)
6.0	`GCCcore/13.2.0 UnZip/6.0`
6.0	`GCCcore/13.3.0 UnZip/6.0`

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	Environment loading command (via Lmod)
6.4.3	`AOCC/5.0.0 OpenMPI/5.0.3 VASP/6.4.3`
6.4.3-no-HDF5	`AOCC/5.0.0 OpenMPI/5.0.3 VASP/6.4.3-no-HDF5`
6.5.1	`AOCC/5.0.0 OpenMPI/5.0.3 VASP/6.5.1`
5.4.4-DSCF	`GCC/13.2.0 OpenMPI/5.0.3 VASP/5.4.4-DSCF`
5.4.4	`GCC/13.2.0 OpenMPI/5.0.3 VASP/5.4.4`
5.4.4-vaspsol-vtst	`GCC/13.2.0 OpenMPI/5.0.3 VASP/5.4.4-vaspsol-vtst`
6.4.2-vtst	`GCC/13.2.0 OpenMPI/5.0.3 VASP/6.4.2-vtst`
6.4.3-Dsingle_prec_bse	`GCC/13.2.0 OpenMPI/5.0.3 VASP/6.4.3-Dsingle_prec_bse`
6.4.3-ELPA-Dsingle_prec_bse	`GCC/13.2.0 OpenMPI/5.0.3 VASP/6.4.3-ELPA-Dsingle_prec_bse`
6.4.3	`GCC/13.2.0 OpenMPI/5.0.3 VASP/6.4.3`
6.5.1-Dsingle_prec_bse	`GCC/13.2.0 OpenMPI/5.0.3 VASP/6.5.1-Dsingle_prec_bse`
6.5.1	`GCC/13.2.0 OpenMPI/5.0.3 VASP/6.5.1`
6.3.2-vaspsol-vtst	`intel-compilers2023.2.1 impi/2021.10.0 VASP/6.3.2-vaspsol-vtst`
6.4.2-vtst	`intel-compilers2023.2.1 impi/2021.10.0 VASP/6.4.2-vtst`
6.4.3	`intel-compilers2023.2.1 impi/2021.10.0 VASP/6.4.3`
6.5.1-Dsingle_prec_bse	`intel-compilers2023.2.1 impi/2021.10.0 VASP/6.5.1-Dsingle_prec_bse`
6.4.3	`intel-compilers2023.2.1 OpenMPI/5.0.3 VASP/6.4.3`

VMD

VMD is a molecular visualization program for displaying, animating, and analyzing large biomolecular systems using 3-D graphics and built-in scripting.

Versions	Environment loading command (via Lmod)
1.9.4a57	`GCC/13.2.0 OpenMPI/5.0.3 VMD/1.9.4a57`

VSCode

Visual Studio Code is a lightweight but powerful source code editor which runs on your desktop and is available for Windows, macOS and Linux. It comes with built-in support for JavaScript, TypeScript and Node.js and has a rich ecosystem of extensions for other languages and runtimes (such as C++, C#, Java, Python, PHP, Go, .NET). Begin your journey with VS Code with these introductory videos.

Versions	Environment loading command (via Lmod)
1.100	`VSCode/1.100`

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	Environment loading command (via Lmod)
9.0.0	`GCC/13.2.0 OpenMPI/5.0.3 VTK/9.0.0`
9.3.0	`GCC/13.2.0 OpenMPI/5.0.3 VTK/9.3.0`
9.5.0	`GCC/13.2.0 OpenMPI/5.0.3 VTK/9.5.0`

VTune

Intel VTune Amplifier XE is the premier performance profiler for C, C++, C#, Fortran, Assembly and Java.

Versions	Environment loading command (via Lmod)
2023.2.0	`VTune/2023.2.0`

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	Environment loading command (via Lmod)
2.5.0	`GCC/13.2.0 OpenMPI/5.0.3 ViennaRNA/2.5.0`
2.6.4	`GCC/13.2.0 OpenMPI/5.0.3 ViennaRNA/2.6.4`

Visit

VisIt is an Open Source, interactive, scalable, visualization, animation and analysis tool. From Unix, Windows or Mac workstations, users can interactively visualize and analyze data ranging in scale from small (105 core) leadership-class computing facility simulation campaigns. Users can quickly generate visualizations, animate them through time, manipulate them with a variety of operators and mathematical expressions, and save the resulting images and animations for presentations. VisIt contains a rich set of visualization features to enable users to view a wide variety of data including scalar and vector fields defined on two- and three-dimensional (2D and 3D) structured, adaptive and unstructured meshes. Owing to its customizeable plugin design, VisIt is capabable of visualizing data from over 120 different scientific data formats.

Versions	Environment loading command (via Lmod)
3.4.9-01f068f	`GCC/13.2.0 OpenMPI/5.0.3 Visit/3.4.9-01f068f`

Wannier90

A tool for obtaining maximally-localised Wannier functions

Versions	Environment loading command (via Lmod)
3.1.0	`AOCC/5.0.0 OpenMPI/5.0.3 Wannier90/3.1.0`
2.1.0	`GCC/13.2.0 OpenMPI/5.0.3 Wannier90/2.1.0`
3.1.0	`GCC/13.2.0 OpenMPI/5.0.3 Wannier90/3.1.0`
3.1.0	`intel-compilers2023.2.1 impi/2021.10.0 Wannier90/3.1.0`
3.1.0	`intel-compilers2023.2.1 OpenMPI/5.0.3 Wannier90/3.1.0`
3.1.0	`CrayCCE/23.12 Wannier90/3.1.0`

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	Environment loading command (via Lmod)
1.22.0	`GCCcore/13.2.0 Wayland/1.22.0`

X11

The X Window System (X11) is a windowing system for bitmap displays

Versions	Environment loading command (via Lmod)
20231019	`GCCcore/13.2.0 X11/20231019`

XZ

xz: XZ utilities

Versions	Environment loading command (via Lmod)
5.4.4	`GCCcore/13.2.0 XZ/5.4.4`
5.4.5	`GCCcore/13.3.0 XZ/5.4.5`

Xerces-C++

Xerces-C++ is a validating XML parser written in a portable subset of C++. Xerces-C++ makes it easy to give your application the ability to read and write XML data. A shared library is provided for parsing, generating, manipulating, and validating XML documents using the DOM, SAX, and SAX2 APIs.

Versions	Environment loading command (via Lmod)
3.2.5	`GCCcore/13.2.0 Xerces-C++/3.2.5`

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	Environment loading command (via Lmod)
5.2.4-slepc	`GCC/13.2.0 OpenMPI/5.0.3 Yambo/5.2.4-slepc`

Yasm

Yasm: Complete rewrite of the NASM assembler with BSD license

Versions	Environment loading command (via Lmod)
1.3.0	`GCCcore/13.2.0 Yasm/1.3.0`

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	Environment loading command (via Lmod)
4.3.5	`GCCcore/13.2.0 ZeroMQ/4.3.5`

aiohttp

Asynchronous HTTP client/server framework for asyncio and Python.

Versions	Environment loading command (via Lmod)
3.9.5	`GCCcore/13.2.0 aiohttp/3.9.5`

alsa-lib

The Advanced Linux Sound Architecture (ALSA) provides audio and MIDI functionality to the Linux operating system.

Versions	Environment loading command (via Lmod)
1.2.11	`GCCcore/13.2.0 alsa-lib/1.2.11`
1.2.8	`GCCcore/13.2.0 alsa-lib/1.2.8`

amd

AMD Optimizing C Compiler (AOCC) based compiler toolchain, including OpenMPI for MPI support and AOCL libraries.

Versions	Environment loading command (via Lmod)
2023b	`amd/2023b`

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	Environment loading command (via Lmod)
1.10.14-Java-21	`ant/1.10.14-Java-21`

antiword

Antiword: a free MS Word document reader

Versions	Environment loading command (via Lmod)
0.37	`antiword/0.37`

aompi

AOCC based compiler toolchain, including OpenMPI for MPI support.

Versions	Environment loading command (via Lmod)
2023b	`aompi/2023b`

arpack-ng

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

Versions	Environment loading command (via Lmod)
3.9.0	`GCC/13.2.0 OpenMPI/5.0.3 arpack-ng/3.9.0`
3.9.1	`GCC/13.2.0 OpenMPI/5.0.3 arpack-ng/3.9.1`
3.9.0	`intel-compilers2023.2.1 impi/2021.10.0 arpack-ng/3.9.0`

assimp

Open Asset Import Library (assimp) is a library to import and export various 3d-model-formats including scene-post-processing to generate missing render data.

Versions	Environment loading command (via Lmod)
5.3.1	`GCCcore/13.2.0 assimp/5.3.1`

asyncssh

AsyncSSH is a Python package which provides an asynchronous client and server implementation of the SSHv2 protocol on top of the Python 3.6+ asyncio framework.

Versions	Environment loading command (via Lmod)
2.14.2	`GCCcore/13.2.0 asyncssh/2.14.2`

at-spi2-atk

AT-SPI 2 toolkit bridge

Versions	Environment loading command (via Lmod)
2.38.0	`GCCcore/13.2.0 at-spi2-atk/2.38.0`

at-spi2-core

Assistive Technology Service Provider Interface.

Versions	Environment loading command (via Lmod)
2.50.0	`GCCcore/13.2.0 at-spi2-core/2.50.0`

bcrypt

Acceptable password hashing for your software and your servers (but you should really use argon2id or scrypt)

Versions	Environment loading command (via Lmod)
4.1.3	`GCCcore/13.2.0 bcrypt/4.1.3`

binutils

binutils: GNU binary utilities

Versions	Environment loading command (via Lmod)
2.40	`GCCcore/13.2.0 binutils/2.40`
2.42	`GCCcore/13.3.0 binutils/2.42`
2.40	`binutils/2.40`
2.42	`binutils/2.42`

bokeh

Statistical and novel interactive HTML plots for Python

Versions	Environment loading command (via Lmod)
3.4.1	`GCC/13.2.0 bokeh/3.4.1`

btllib

Bioinformatics Technology Lab common code library

Versions	Environment loading command (via Lmod)
1.7.0	`GCC/13.2.0 btllib/1.7.0`

bwakit

Bwakit is a self-consistent installation-free package of scripts and precompiled binaries, providing an end-to-end solution to read mapping.

Versions	Environment loading command (via Lmod)
0.7.15_x64-linux	`bwakit/0.7.15_x64-linux`

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	Environment loading command (via Lmod)
1.0.8	`GCCcore/13.2.0 bzip2/1.0.8`
1.0.8	`GCCcore/13.3.0 bzip2/1.0.8`
1.0.8	`bzip2/1.0.8`

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	Environment loading command (via Lmod)
8.3.0	`GCCcore/13.2.0 cURL/8.3.0`
8.7.1	`GCCcore/13.3.0 cURL/8.7.1`
8.0.1	`cURL/8.0.1`

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	Environment loading command (via Lmod)
1.18.0	`GCCcore/13.2.0 cairo/1.18.0`

cce

No description available

Versions	Environment loading command (via Lmod)
17.0	`cce/17.0`

cffi

C Foreign Function Interface for Python. Interact with almost any C code from Python, based on C-like declarations that you can often copy-paste from header files or documentation.

Versions	Environment loading command (via Lmod)
1.15.1	`GCCcore/13.2.0 cffi/1.15.1`
1.16.0	`GCCcore/13.3.0 cffi/1.16.0`

configurable-http-proxy

HTTP proxy for node.js including a REST API for updating the routing table. Developed as a part of the Jupyter Hub multi-user server.

Versions	Environment loading command (via Lmod)
4.6.1	`GCCcore/13.2.0 configurable-http-proxy/4.6.1`

cpe

No description available

Versions	Environment loading command (via Lmod)
23	`cpe/23`

cpio

The cpio package contains tools for archiving.

Versions	Environment loading command (via Lmod)
2.15	`GCCcore/13.2.0 cpio/2.15`

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	Environment loading command (via Lmod)
1.2.1	`GCCcore/13.2.0 cppy/1.2.1`

cray-fftw

No description available

Versions	Environment loading command (via Lmod)
3.3.10	`cray-fftw/3.3.10`

cray-libsci

No description available

Versions	Environment loading command (via Lmod)
23.12	`cray-libsci/23.12`

cray-mpich

No description available

Versions	Environment loading command (via Lmod)
8.1	`cray-mpich/8.1`

cryptography

cryptography is a package designed to expose cryptographic primitives and recipes to Python developers.

Versions	Environment loading command (via Lmod)
41.0.5	`GCCcore/13.2.0 cryptography/41.0.5`
42.0.8	`GCCcore/13.3.0 cryptography/42.0.8`

cuDNN

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

Versions	Environment loading command (via Lmod)
8.9.7.29-CUDA-12.4.0	`cuDNN/8.9.7.29-CUDA-12.4.0`

dask

Dask natively scales Python. Dask provides advanced parallelism for analytics, enabling performance at scale for the tools you love.

Versions	Environment loading command (via Lmod)
2024.5.1	`GCC/13.2.0 dask/2024.5.1`

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	Environment loading command (via Lmod)
3.4.0	`GCC/13.2.0 OpenMPI/5.0.3 dftd4/3.4.0`
3.7.0	`GCC/13.2.0 OpenMPI/5.0.3 dftd4/3.7.0`
3.4.0	`intel-compilers2023.2.1 impi/2021.10.0 dftd4/3.4.0`
3.7.0	`intel-compilers2023.2.1 impi/2021.10.0 dftd4/3.7.0`
3.4.0	`intel-compilers2023.2.1 OpenMPI/5.0.3 dftd4/3.4.0`

dialog

A utility for creating TTY dialog boxes

Versions	Environment loading command (via Lmod)
1.3-20240619	`dialog/1.3-20240619`

dotNET-Core

.NET is a free, cross-platform, open source developer platform for building many different types of applications. With .NET, you can use multiple languages, editors, and libraries to build for web, mobile, desktop, gaming, and IoT. Contains the SDK and the Runtime.

Versions	Environment loading command (via Lmod)
9.0.305	`dotNET-Core/9.0.305`

double-conversion

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

Versions	Environment loading command (via Lmod)
3.3.0	`GCCcore/13.2.0 double-conversion/3.3.0`

eT

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

Versions	Environment loading command (via Lmod)
1.9.13	`GCC/13.2.0 eT/1.9.13`

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	Environment loading command (via Lmod)
2.5.0	`GCCcore/13.2.0 expat/2.5.0`
2.6.2	`GCCcore/13.3.0 expat/2.6.2`

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	Environment loading command (via Lmod)
0.23.4	`GCC/13.2.0 fastp/0.23.4`

ffmpeg-python

Python bindings for FFmpeg - with complex filtering support

Versions	Environment loading command (via Lmod)
0.2.0	`GCCcore/13.2.0 ffmpeg-python/0.2.0`

ffnvcodec

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

Versions	Environment loading command (via Lmod)
12.1.14.0	`ffnvcodec/12.1.14.0`

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	Environment loading command (via Lmod)
5.43	`GCCcore/13.2.0 file/5.43`

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	Environment loading command (via Lmod)
2.6.4	`GCCcore/13.2.0 flex/2.6.4`
2.6.4	`GCCcore/13.3.0 flex/2.6.4`
2.6.4	`flex/2.6.4`

flit

A simple packaging tool for simple packages.

Versions	Environment loading command (via Lmod)
3.9.0	`GCCcore/13.2.0 flit/3.9.0`
3.9.0	`GCCcore/13.3.0 flit/3.9.0`

flook

The fortran-Lua-hook library.

Versions	Environment loading command (via Lmod)
0.8.4	`GCC/13.2.0 flook/0.8.4`
0.8.4	`intel-compilers2023.2.1 flook/0.8.4`

fontconfig

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

Versions	Environment loading command (via Lmod)
2.14.2	`GCCcore/13.2.0 fontconfig/2.14.2`

foss

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

Versions	Environment loading command (via Lmod)
2023b	`foss/2023b`

freeglut

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

Versions	Environment loading command (via Lmod)
3.4.0	`GCCcore/13.2.0 freeglut/3.4.0`

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	Environment loading command (via Lmod)
2.13.2	`GCCcore/13.2.0 freetype/2.13.2`

gawk

The awk utility interprets a special-purpose programming language that makes it possible to handle simple data-reformatting jobs with just a few lines of code.

Versions	Environment loading command (via Lmod)
5.3.0	`GCC/13.2.0 gawk/5.3.0`

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	Environment loading command (via Lmod)
0.22	`GCCcore/13.2.0 gettext/0.22`
0.22.5	`GCCcore/13.3.0 gettext/0.22.5`
0.19.8.1	`gettext/0.19.8.1`
0.22.5	`gettext/0.22.5`
0.22	`gettext/0.22`

gfbf

GNU Compiler Collection (GCC) based compiler toolchain, including FlexiBLAS (BLAS and LAPACK support) and (serial) FFTW.

Versions	Environment loading command (via Lmod)
2023b	`gfbf/2023b`
2024a	`gfbf/2024a`

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	Environment loading command (via Lmod)
5.2.1	`GCCcore/13.2.0 giflib/5.2.1`

gimkl

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

Versions	Environment loading command (via Lmod)
2023b	`gimkl/2023b`

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	Environment loading command (via Lmod)
2.42.0	`GCCcore/13.2.0 git/2.42.0`
2.45.1	`GCCcore/13.3.0 git/2.45.1`

gmkl

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

Versions	Environment loading command (via Lmod)
2023b	`gmkl/2023b`

gnupg-bundle

GnuPG — The Universal Crypto Engine

Versions	Environment loading command (via Lmod)
20240306	`GCCcore/13.2.0 gnupg-bundle/20240306`

gnuplot

Portable interactive, function plotting utility

Versions	Environment loading command (via Lmod)
5.4.8	`GCCcore/13.2.0 gnuplot/5.4.8`

gomkl

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

Versions	Environment loading command (via Lmod)
2023b	`gomkl/2023b`

gompi

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

Versions	Environment loading command (via Lmod)
2023b	`gompi/2023b`

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	Environment loading command (via Lmod)
3.1	`GCCcore/13.2.0 gperf/3.1`

graphite2

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

Versions	Environment loading command (via Lmod)
1.3.14	`GCCcore/13.2.0 graphite2/1.3.14`

groff

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

Versions	Environment loading command (via Lmod)
1.23.0	`GCCcore/13.2.0 groff/1.23.0`

gzip

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

Versions	Environment loading command (via Lmod)
1.13	`GCCcore/13.2.0 gzip/1.13`
1.13	`GCCcore/13.3.0 gzip/1.13`

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	Environment loading command (via Lmod)
3.11.0	`GCC/13.2.0 OpenMPI/5.0.3 h5py/3.11.0`
3.11.0	`intel-compilers2023.2.1 impi/2021.10.0 h5py/3.11.0`

hatch-jupyter-builder

Hatch Jupyter Builder is a plugin for the hatchling Python build backend. It is primarily targeted for package authors who are providing JavaScript as part of their Python packages. Typical use cases are Jupyter Lab Extensions and Jupyter Widgets.

Versions	Environment loading command (via Lmod)
0.9.1	`GCCcore/13.2.0 hatch-jupyter-builder/0.9.1`

hatchling

Extensible, standards compliant build backend used by Hatch, a modern, extensible Python project manager.

Versions	Environment loading command (via Lmod)
1.18.0	`GCCcore/13.2.0 hatchling/1.18.0`
1.24.2	`GCCcore/13.3.0 hatchling/1.24.2`

help2man

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

Versions	Environment loading command (via Lmod)
1.49.3	`GCCcore/13.2.0 help2man/1.49.3`
1.49.3	`GCCcore/13.3.0 help2man/1.49.3`

htop

An interactive process viewer for Unix

Versions	Environment loading command (via Lmod)
3.3.0	`htop/3.3.0`

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	Environment loading command (via Lmod)
2.9.2	`GCCcore/13.2.0 hwloc/2.9.2`

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	Environment loading command (via Lmod)
6.90.0	`GCCcore/13.2.0 hypothesis/6.90.0`
6.103.1	`GCCcore/13.3.0 hypothesis/6.103.1`

iimkl

Intel C/C++ and Fortran compilers, alongside Intel Math Kernel Library (MKL).

Versions	Environment loading command (via Lmod)
2023b	`iimkl/2023b`

iimpi

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

Versions	Environment loading command (via Lmod)
2023b	`iimpi/2023b`

imkl

Intel oneAPI Math Kernel Library

Versions	Environment loading command (via Lmod)
2023.2.0	`imkl/2023.2.0`
2024.0.0	`imkl/2024.0.0`

imkl-FFTW

FFTW interfaces using Intel oneAPI Math Kernel Library

Versions	Environment loading command (via Lmod)
2023.2.0	`intel-compilers2023.2.1 impi/2021.10.0 imkl-FFTW/2023.2.0`

impi

Intel MPI Library, compatible with MPICH ABI

Versions	Environment loading command (via Lmod)
2021.10.0	`GCC/13.2.0 impi/2021.10.0`
2021.10.0	`intel-compilers2023.2.1 impi/2021.10.0`
2021.13.1	`intel-compilers2023.2.1 impi/2021.13.1`

intel

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

Versions	Environment loading command (via Lmod)
2023b	`intel-compilers2023b`

intel-compilers

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

Versions	Environment loading command (via Lmod)
2023.2.1	`intel-compilers/2023.2.1`
2024.2.0	`intel-compilers/2024.2.0`

intltool

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

Versions	Environment loading command (via Lmod)
0.51.0	`GCCcore/13.2.0 intltool/0.51.0`

iomkl

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

Versions	Environment loading command (via Lmod)
2023b	`iomkl/2023b`

iompi

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

Versions	Environment loading command (via Lmod)
2023b	`iompi/2023b`

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	Environment loading command (via Lmod)
2021.10.0	`itac/2021.10.0`

jbig2enc

JBIG2 encodes bi-level (1 bpp) images using a number of clever tricks to get better compression than G4.

Versions	Environment loading command (via Lmod)
0.30	`GCCcore/13.2.0 jbig2enc/0.30`

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	Environment loading command (via Lmod)
2.1	`GCCcore/13.2.0 jbigkit/2.1`

jdftx

JDFTx is a plane-wave density-functional theory (DFT) code designed to be as easy to develop with as it is easy to use.

Versions	Environment loading command (via Lmod)
1.7.0	`GCC/13.2.0 OpenMPI/5.0.3 jdftx/1.7.0`

jedi

Jedi - an awesome autocompletion, static analysis and refactoring library for Python.

Versions	Environment loading command (via Lmod)
0.19.1	`GCCcore/13.2.0 jedi/0.19.1`

jemalloc

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

Versions	Environment loading command (via Lmod)
5.3.0	`GCCcore/13.2.0 jemalloc/5.3.0`

json-c

JSON-C implements a reference counting object model that allows you to easily construct JSON objects in C, output them as JSON formatted strings and parse JSON formatted strings back into the C representation of JSON objects.

Versions	Environment loading command (via Lmod)
0.17	`GCCcore/13.2.0 json-c/0.17`
0.13	`json-c/0.13`

json-fortran

JSON-Fortran: A Modern Fortran JSON API

Versions	Environment loading command (via Lmod)
9.0.2	`GCC/13.2.0 json-fortran/9.0.2`
9.0.2	`intel-compilers2023.2.1 json-fortran/9.0.2`

jupyter-resource-usage

Jupyter Notebook Extension for monitoring your own Resource Usage (memory and/or CPU)

Versions	Environment loading command (via Lmod)
1.0.2	`GCCcore/13.2.0 jupyter-resource-usage/1.0.2`

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	Environment loading command (via Lmod)
2.14.0	`GCCcore/13.2.0 jupyter-server/2.14.0`

jupyter-server-proxy

Jupyter Server Proxy lets you run arbitrary external processes (such as RStudio, Shiny Server, Syncthing, PostgreSQL, Code Server, etc) alongside your notebook server and provide authenticated web access to them using a path like /rstudio next to others like /lab. Alongside the python package that provides the main functionality, the JupyterLab extension (@jupyterlab/server-proxy) provides buttons in the JupyterLab launcher window to get to RStudio for example.

Versions	Environment loading command (via Lmod)
4.1.2	`GCCcore/13.2.0 jupyter-server-proxy/4.1.2`

jupyterlab_nvdashboard

NVDashboard is a JupyterLab extension for displaying GPU usage dashboards. It enables JupyterLab users to visualize system hardware metrics within the same interactive environment they use for development. Supported metrics include: GPU-compute utilization, GPU-memory consumption, PCIe throughput and NVLink throughput

Versions	Environment loading command (via Lmod)
0.11.0	`GCCcore/13.2.0 jupyterlab_nvdashboard/0.11.0`

jupyterlmod

Jupyter interactive notebook server extension that allows users to interact with environment modules before launching kernels. The extension uses Lmod's Python interface to accomplish module-related tasks like loading, unloading, saving collections, etc.

Versions	Environment loading command (via Lmod)
5.2.1	`GCCcore/13.2.0 jupyterlmod/5.2.1`

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	Environment loading command (via Lmod)
0.50.1	`GCC/13.2.0 OpenMPI/5.0.3 kallisto/0.50.1`

koala

No description available

Versions	Environment loading command (via Lmod)
1.0	`intel-compilers2023.2.1 impi/2021.10.0 koala/1.0`

libAfterImage

libAfterImage is a generic image manipulation library. It was initially implemented to address AfterStep Window Manager's needs for image handling, but it evolved into extremely powerful and flexible software, suitable for virtually any project that has needs for loading, manipulating, displaying images, as well as writing images in files.

Versions	Environment loading command (via Lmod)
1.20	`GCC/13.2.0 OpenMPI/5.0.3 libAfterImage/1.20`

libGLU

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

Versions	Environment loading command (via Lmod)
9.0.3	`GCCcore/13.2.0 libGLU/9.0.3`

libGridXC

A library to compute the exchange and correlation energy and potential in spherical (i.e. atoms) or periodic systems.

Versions	Environment loading command (via Lmod)
2.0.2	`GCC/13.2.0 OpenMPI/5.0.3 libGridXC/2.0.2`
2.0.2	`intel-compilers2023.2.1 impi/2021.10.0 libGridXC/2.0.2`

libPSML

A library to handle pseudopotentials in PSML format

Versions	Environment loading command (via Lmod)
2.1.0	`GCC/13.2.0 libPSML/2.1.0`
2.1.0	`intel-compilers2023.2.1 libPSML/2.1.0`

libaio

Asynchronous input/output library that uses the kernels native interface.

Versions	Environment loading command (via Lmod)
0.3.113	`GCCcore/13.2.0 libaio/0.3.113`

libarchive

Multi-format archive and compression library

Versions	Environment loading command (via Lmod)
3.7.2	`GCCcore/13.2.0 libarchive/3.7.2`
3.7.4	`GCCcore/13.3.0 libarchive/3.7.4`
3.6.2	`libarchive/3.6.2`

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	Environment loading command (via Lmod)
2.3	`GCCcore/13.2.0 libcerf/2.3`

libdeflate

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

Versions	Environment loading command (via Lmod)
1.19	`GCCcore/13.2.0 libdeflate/1.19`

libdrm

Direct Rendering Manager runtime library.

Versions	Environment loading command (via Lmod)
2.4.117	`GCCcore/13.2.0 libdrm/2.4.117`

libepoxy

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

Versions	Environment loading command (via Lmod)
1.5.10	`GCCcore/13.2.0 libepoxy/1.5.10`

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	Environment loading command (via Lmod)
2.1.12	`GCCcore/13.2.0 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	Environment loading command (via Lmod)
1.15.2.0	`libfabric/1.15.2.0`

libfdf

LibFDF is the official implementation of the FDF specifications for use in client codes.

Versions	Environment loading command (via Lmod)
0.5.1	`GCC/13.2.0 libfdf/0.5.1`
0.5.1	`intel-compilers2023.2.1 libfdf/0.5.1`

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	Environment loading command (via Lmod)
3.4.4	`GCCcore/13.2.0 libffi/3.4.4`
3.4.5	`GCCcore/13.3.0 libffi/3.4.5`
3.2.1	`libffi/3.2.1`

libgd

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

Versions	Environment loading command (via Lmod)
2.3.3	`GCCcore/13.2.0 libgd/2.3.3`

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	Environment loading command (via Lmod)
1.7.2	`GCCcore/13.2.0 libgit2/1.7.2`

libglvnd

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

Versions	Environment loading command (via Lmod)
1.7.0	`GCCcore/13.2.0 libglvnd/1.7.0`

libharu

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

Versions	Environment loading command (via Lmod)
2.3.0	`GCCcore/13.2.0 libharu/2.3.0`
2.3.0	`GCC/13.2.0 OpenMPI/5.0.3 libharu/2.3.0`

libiconv

Libiconv converts from one character encoding to another through Unicode conversion

Versions	Environment loading command (via Lmod)
1.17	`GCCcore/13.2.0 libiconv/1.17`
1.17	`GCCcore/13.3.0 libiconv/1.17`

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	Environment loading command (via Lmod)
3.0.1	`GCCcore/13.2.0 libjpeg-turbo/3.0.1`

libmbd

Libmbd implements the many-body dispersion (MBD) method in several programming languages and frameworks: - The Fortran implementation is the reference, most advanced implementation, with support for analytical gradients and distributed parallelism, and additional functionality beyond the MBD method itself. It provides a low-level and a high-level Fortran API, as well as a C API. Furthermore, Python bindings to the C API are provided. - The Python/Numpy implementation is intended for prototyping, and as a high-level language reference. - The Python/Tensorflow implementation is an experiment that should enable rapid prototyping of machine learning applications with MBD. The Python-based implementations as well as Python bindings to the Libmbd C API are accessible from the Python package called Pymbd.

Versions	Environment loading command (via Lmod)
0.12.6	`GCC/13.2.0 OpenMPI/5.0.3 libmbd/0.12.6`

libnsl

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

Versions	Environment loading command (via Lmod)
1.3.0	`libnsl/1.3.0`

libogg

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

Versions	Environment loading command (via Lmod)
1.3.5	`GCCcore/13.2.0 libogg/1.3.5`

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	Environment loading command (via Lmod)
1.4	`GCCcore/13.2.0 libopus/1.4`

libpciaccess

Generic PCI access library.

Versions	Environment loading command (via Lmod)
0.17	`GCCcore/13.2.0 libpciaccess/0.17`

libpng

libpng is the official PNG reference library

Versions	Environment loading command (via Lmod)
1.6.40	`GCCcore/13.2.0 libpng/1.6.40`
1.2.59	`libpng/1.2.59`

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	Environment loading command (via Lmod)
8.2	`GCCcore/13.2.0 libreadline/8.2`
8.2	`GCCcore/13.3.0 libreadline/8.2`
7.0	`libreadline/7.0`
8.0	`libreadline/8.0`
8.2	`libreadline/8.2`

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	Environment loading command (via Lmod)
1.2.2	`GCCcore/13.2.0 libsndfile/1.2.2`

libsodium

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

Versions	Environment loading command (via Lmod)
1.0.19	`GCCcore/13.2.0 libsodium/1.0.19`

libtirpc

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

Versions	Environment loading command (via Lmod)
1.3.3	`libtirpc/1.3.3`

libtool

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

Versions	Environment loading command (via Lmod)
2.4.7	`GCCcore/13.2.0 libtool/2.4.7`
2.4.7	`GCCcore/13.3.0 libtool/2.4.7`
2.4.7	`libtool/2.4.7`

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	Environment loading command (via Lmod)
1.6.2	`GCCcore/13.2.0 libunwind/1.6.2`

libvorbis

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

Versions	Environment loading command (via Lmod)
1.3.7	`GCCcore/13.2.0 libvorbis/1.3.7`

libvori

C++ library implementing the Voronoi integration as well as the compressed bqb file format. The present version of libvori is a very early development version, which is hard-coded to work with the CP2k program package.

Versions	Environment loading command (via Lmod)
220621	`GCCcore/13.2.0 libvori/220621`

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	Environment loading command (via Lmod)
1.3.2	`GCCcore/13.2.0 libwebp/1.3.2`

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	Environment loading command (via Lmod)
6.2.2-disable-fhc	`AOCC/5.0.0 libxc/6.2.2-disable-fhc`
5.1.6	`GCC/13.2.0 libxc/5.1.6`
6.2.2-disable-fhc	`GCC/13.2.0 libxc/6.2.2-disable-fhc`
6.2.2	`GCC/13.2.0 libxc/6.2.2`
5.1.6	`intel-compilers2023.2.1 libxc/5.1.6`
6.2.2-disable-fhc	`intel-compilers2023.2.1 libxc/6.2.2-disable-fhc`
6.2.2	`intel-compilers2023.2.1 libxc/6.2.2`

libxml2

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

Versions	Environment loading command (via Lmod)
2.11.5	`GCCcore/13.2.0 libxml2/2.11.5`
2.12.7	`GCCcore/13.3.0 libxml2/2.12.7`
2.9.10	`libxml2/2.9.10`

libxslt

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

Versions	Environment loading command (via Lmod)
1.1.38	`GCCcore/13.2.0 libxslt/1.1.38`

libxsmm

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

Versions	Environment loading command (via Lmod)
1.17	`GCC/13.2.0 libxsmm/1.17`
1.17	`intel-compilers2023.2.1 libxsmm/1.17`

libyaml

LibYAML is a YAML parser and emitter written in C.

Versions	Environment loading command (via Lmod)
0.2.5	`GCCcore/13.2.0 libyaml/0.2.5`

linaro-forge

Linaro Forge combines Linaro DDT, the leading debugger for time-saving high performance application debugging, Linaro MAP, the trusted performance profiler for invaluable optimization advice across native and Python HPC codes, and Linaro Performance Reports for advanced reporting capabilities.

Versions	Environment loading command (via Lmod)
24.0.4	`linaro-forge/24.0.4`

lpsolve

Mixed Integer Linear Programming (MILP) solver

Versions	Environment loading command (via Lmod)
5.5.2.11	`GCC/13.2.0 lpsolve/5.5.2.11`

lurk

lurk is a simple and pretty alternative to strace

Versions	Environment loading command (via Lmod)
0.3.10	`lurk/0.3.10`

lxml

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

Versions	Environment loading command (via Lmod)
4.9.3	`GCCcore/13.2.0 lxml/4.9.3`

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	Environment loading command (via Lmod)
1.9.4	`GCCcore/13.2.0 lz4/1.9.4`
1.9.4	`GCCcore/13.3.0 lz4/1.9.4`

maeparser

maeparser is a parser for Schrodinger Maestro files.

Versions	Environment loading command (via Lmod)
1.3.1	`GCC/13.2.0 OpenMPI/5.0.3 maeparser/1.3.1`

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	Environment loading command (via Lmod)
2.7.2-CUDA-12.4.0	`GCC/13.2.0 OpenMPI/5.0.3 magma/2.7.2-CUDA-12.4.0`

make

GNU version of make utility

Versions	Environment loading command (via Lmod)
4.4.1	`GCCcore/13.2.0 make/4.4.1`
4.4.1	`GCCcore/13.3.0 make/4.4.1`

makeinfo

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

Versions	Environment loading command (via Lmod)
7.1	`GCCcore/13.2.0 makeinfo/7.1`

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	Environment loading command (via Lmod)
3.8.2	`GCC/13.2.0 matplotlib/3.8.2`
3.8.2	`intel-compilers2023.2.1 matplotlib/3.8.2`

maturin

This project is meant as a zero configuration replacement for setuptools-rust and milksnake. It supports building wheels for python 3.5+ on windows, linux, mac and freebsd, can upload them to pypi and has basic pypy and graalpy support.

Versions	Environment loading command (via Lmod)
1.3.1	`GCCcore/13.2.0 maturin/1.3.1`
1.5.0-Rust-1.76.0	`GCCcore/13.2.0 maturin/1.5.0-Rust-1.76.0`
1.6.0	`GCCcore/13.3.0 maturin/1.6.0`

mcpartools

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

Versions	Environment loading command (via Lmod)
0.6.2-Python-3.11.5	`GCCcore/13.2.0 mcpartools/0.6.2-Python-3.11.5`

mctc-lib

Common tool chain for working with molecular structure data in various applications. This library provides a unified way to perform operations on molecular structure data, like reading and writing to common geometry file formats.

Versions	Environment loading command (via Lmod)
0.3.1	`GCC/13.2.0 mctc-lib/0.3.1`
0.3.2	`GCC/13.2.0 mctc-lib/0.3.2`
0.3.1	`intel-compilers2023.2.1 mctc-lib/0.3.1`
0.3.2	`intel-compilers2023.2.1 mctc-lib/0.3.2`

meson-python

Python build backend (PEP 517) for Meson projects

Versions	Environment loading command (via Lmod)
0.15.0	`GCCcore/13.2.0 meson-python/0.15.0`
0.16.0	`GCCcore/13.2.0 meson-python/0.16.0`
0.16.0	`GCCcore/13.3.0 meson-python/0.16.0`

mgltools

The MGLTools software suite can be used for visualization and analysis of molecular structures and comprises the Python Molecular Viewer (PMV, a general purpose molecular viewer), AutoDockTools (ADT, a set of PMV commands specifically developed to support AutoDock users) and Vision (a visual programming environment).

Versions	Environment loading command (via Lmod)
1.5.7	`mgltools/1.5.7`

miniprot

Miniprot aligns a protein sequence against a genome with affine gap penalty, splicing and frameshift.

Versions	Environment loading command (via Lmod)
0.13	`GCC/13.2.0 miniprot/0.13`

mold

mold is a high-performance drop-in replacement for existing Unix linkers.

Versions	Environment loading command (via Lmod)
2.3.1	`GCCcore/13.2.0 mold/2.3.1`

mpg123

Fast console MPEG Audio Player and decoder library

Versions	Environment loading command (via Lmod)
1.32.10	`GCCcore/13.2.0 mpg123/1.32.10`

mpi4py

MPI for Python (mpi4py) provides bindings of the Message Passing Interface (MPI) standard for the Python programming language, allowing any Python program to exploit multiple processors.

Versions	Environment loading command (via Lmod)
3.1.5	`GCC/13.2.0 OpenMPI/5.0.3 mpi4py/3.1.5`
3.1.5	`intel-compilers2023.2.1 impi/2021.10.0 mpi4py/3.1.5`

mstore

Molecular structure store for testing

Versions	Environment loading command (via Lmod)
0.3.0	`GCC/13.2.0 mstore/0.3.0`
0.3.0	`intel-compilers2023.2.1 mstore/0.3.0`

multicharge

Electronegativity equilibration model for atomic partial charges.

Versions	Environment loading command (via Lmod)
0.3.0	`GCC/13.2.0 multicharge/0.3.0`
0.3.0	`intel-compilers2023.2.1 multicharge/0.3.0`

nbclassic

NbClassic provides a backwards compatible Jupyter Notebook interface that you can install side-by-side with the latest versions: That way, you can fearlessly upgrade without worrying about your classic extensions and customizations breaking.

Versions	Environment loading command (via Lmod)
1.0.0	`GCCcore/13.2.0 nbclassic/1.0.0`

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	Environment loading command (via Lmod)
3.1.1	`GCC/13.2.0 OpenMPI/5.0.3 ncbi-vdb/3.1.1`

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	Environment loading command (via Lmod)
6.4	`GCCcore/13.2.0 ncurses/6.4`
6.5	`GCCcore/13.3.0 ncurses/6.5`
6.0	`ncurses/6.0`
6.1	`ncurses/6.1`
6.3	`ncurses/6.3`
6.4	`ncurses/6.4`
6.5	`ncurses/6.5`

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	Environment loading command (via Lmod)
4.9.2	`GCC/13.2.0 OpenMPI/5.0.3 netCDF/4.9.2`
4.9.2	`intel-compilers2023.2.1 impi/2021.10.0 netCDF/4.9.2`

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	Environment loading command (via Lmod)
4.6.1	`GCC/13.2.0 OpenMPI/5.0.3 netCDF-Fortran/4.6.1`
4.6.1	`intel-compilers2023.2.1 impi/2021.10.0 netCDF-Fortran/4.6.1`

networkx

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

Versions	Environment loading command (via Lmod)
3.2.1	`GCC/13.2.0 networkx/3.2.1`

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	Environment loading command (via Lmod)
20.9.0	`GCCcore/13.2.0 nodejs/20.9.0`

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	Environment loading command (via Lmod)
2.0.16	`GCCcore/13.2.0 numactl/2.0.16`

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	Environment loading command (via Lmod)
0.58.1	`GCC/13.2.0 OpenMPI/5.0.3 numba/0.58.1`

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	Environment loading command (via Lmod)
17.04	`p7zip/17.04`

parallel

parallel: Build and execute shell commands in parallel

Versions	Environment loading command (via Lmod)
20240322	`GCCcore/13.2.0 parallel/20240322`

patchelf

PatchELF is a small utility to modify the dynamic linker and RPATH of ELF executables.

Versions	Environment loading command (via Lmod)
0.18.0	`GCCcore/13.2.0 patchelf/0.18.0`
0.18.0	`GCCcore/13.3.0 patchelf/0.18.0`

picard

A set of tools (in Java) for working with next generation sequencing data in the BAM format.

Versions	Environment loading command (via Lmod)
2.25.1-Java-21	`picard/2.25.1-Java-21`

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	Environment loading command (via Lmod)
0.42.2	`GCCcore/13.2.0 pixman/0.42.2`

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	Environment loading command (via Lmod)
0.29.2	`GCCcore/13.2.0 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	Environment loading command (via Lmod)
2.0.3	`GCCcore/13.2.0 pkgconf/2.0.3`
2.2.0	`GCCcore/13.3.0 pkgconf/2.2.0`
1.8.0	`pkgconf/1.8.0`

poetry

Python packaging and dependency management made easy. Poetry helps you declare, manage and install dependencies of Python projects, ensuring you have the right stack everywhere.

Versions	Environment loading command (via Lmod)
1.6.1	`GCCcore/13.2.0 poetry/1.6.1`
1.8.3	`GCCcore/13.2.0 poetry/1.8.3`
1.8.3	`GCCcore/13.3.0 poetry/1.8.3`

poppler

Poppler is a PDF rendering library

Versions	Environment loading command (via Lmod)
24.04.0	`GCC/13.2.0 poppler/24.04.0`

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	Environment loading command (via Lmod)
2.6.3	`GCCcore/13.2.0 prodigal/2.6.3`

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	Environment loading command (via Lmod)
1.9.1	`psi4/1.9.1`

pstack

Versions	Environment loading command (via Lmod)
2.14	`GCCcore/13.2.0 pstack/2.14`

psycopg

Psycopg is the most popular PostgreSQL adapter for the Python programming language.

Versions	Environment loading command (via Lmod)
3.1.18	`GCCcore/13.2.0 psycopg/3.1.18`

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	Environment loading command (via Lmod)
2.12.0	`GCC/13.3.0 pybind11/2.12.0`
2.11.1	`GCCcore/13.2.0 pybind11/2.11.1`

pymchelper

pymchelper is a toolkit for aiding users of the particle transport codes, such as FLUKA and SHIELD-HIT12A.

Versions	Environment loading command (via Lmod)
2.7.2-Python-3.11.5	`intel-compilers2023.2.1 pymchelper/2.7.2-Python-3.11.5`

qrupdate

qrupdate is a Fortran library for fast updates of QR and Cholesky decompositions.

Versions	Environment loading command (via Lmod)
1.1.2	`GCCcore/13.2.0 qrupdate/1.1.2`

rclone

Rclone is a command line program to sync files and directories to and from a variety of online storage services

Versions	Environment loading command (via Lmod)
1.67.0	`rclone/1.67.0`

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	Environment loading command (via Lmod)
3.1	`GCCcore/13.2.0 re2c/3.1`

ruamel.yaml

ruamel.yaml is a YAML 1.2 loader/dumper package for Python.

Versions	Environment loading command (via Lmod)
0.18.6	`GCCcore/13.2.0 ruamel.yaml/0.18.6`

scikit-build

Scikit-Build, or skbuild, is an improved build system generator for CPython C/C++/Fortran/Cython extensions.

Versions	Environment loading command (via Lmod)
0.17.6	`GCCcore/13.2.0 scikit-build/0.17.6`
0.17.6	`GCCcore/13.3.0 scikit-build/0.17.6`

scikit-build-core

Scikit-build-core is a complete ground-up rewrite of scikit-build on top of modern packaging APIs. It provides a bridge between CMake and the Python build system, allowing you to make Python modules with CMake.

Versions	Environment loading command (via Lmod)
0.9.3	`GCCcore/13.2.0 scikit-build-core/0.9.3`

setuptools-rust

setuptools-rust is a plugin for setuptools to build Rust Python extensions implemented with PyO3 or rust-cpython.

Versions	Environment loading command (via Lmod)
1.8.0	`GCCcore/13.2.0 setuptools-rust/1.8.0`
1.9.0	`GCCcore/13.3.0 setuptools-rust/1.9.0`

shieldhit

SHIELD-HIT12A is a Monte Carlo particle transport program which is modified for proton and heavy ion particle therapy research

Versions	Environment loading command (via Lmod)
current	`shieldhit/current`

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	Environment loading command (via Lmod)
1.1.10	`GCCcore/13.2.0 snappy/1.1.10`

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	Environment loading command (via Lmod)
2.0.4	`GCCcore/13.2.0 sparsehash/2.0.4`

spglib

Spglib is a C library for finding and handling crystal symmetries.

Versions	Environment loading command (via Lmod)
2.0.2	`GCCcore/13.2.0 spglib/2.0.2`

spglib-python

Spglib for Python. Spglib is a library for finding and handling crystal symmetries written in C.

Versions	Environment loading command (via Lmod)
2.5.0	`GCC/13.2.0 spglib-python/2.5.0`

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	Environment loading command (via Lmod)
2021.13.0	`GCCcore/13.2.0 tbb/2021.13.0`

tesseract

Tesseract is an optical character recognition engine

Versions	Environment loading command (via Lmod)
5.5.0	`GCCcore/13.2.0 tesseract/5.5.0`

test-drive

This project offers a lightweight, procedural unit testing framework based on nothing but standard Fortran.

Versions	Environment loading command (via Lmod)
0.5.0	`GCC/13.2.0 test-drive/0.5.0`
0.5.0	`intel-compilers2023.2.1 test-drive/0.5.0`

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	Environment loading command (via Lmod)
20230313	`GCC/13.2.0 texlive/20230313`
20250308	`GCC/13.2.0 texlive/20250308`

tornado

Tornado is a Python web framework and asynchronous networking library.

Versions	Environment loading command (via Lmod)
6.4	`GCCcore/13.2.0 tornado/6.4`

typing-extensions

Typing Extensions - Backported and Experimental Type Hints for Python

Versions	Environment loading command (via Lmod)
4.10.0	`GCCcore/13.2.0 typing-extensions/4.10.0`

unrtf

UnRTF is a command-line program written in C which converts documents in Rich Text Format (.rtf) to HTML, LaTeX, troff macros, and RTF itself.

Versions	Environment loading command (via Lmod)
0.21.10	`unrtf/0.21.10`

util-linux

Set of Linux utilities

Versions	Environment loading command (via Lmod)
2.39	`GCCcore/13.2.0 util-linux/2.39`

virtualenv

A tool for creating isolated virtual python environments.

Versions	Environment loading command (via Lmod)
20.24.6	`GCCcore/13.2.0 virtualenv/20.24.6`
20.26.2	`GCCcore/13.3.0 virtualenv/20.26.2`

wise2

Wise2

Versions	Environment loading command (via Lmod)
2.4.1	`GCCcore/13.2.0 wise2/2.4.1`

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	Environment loading command (via Lmod)
20231019	`GCCcore/13.2.0 x264/20231019`

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	Environment loading command (via Lmod)
3.5	`GCCcore/13.2.0 x265/3.5`

xmlf90

A fast XML parser and generator in Fortran

Versions	Environment loading command (via Lmod)
1.6.3	`GCC/13.2.0 xmlf90/1.6.3`
1.6.3	`intel-compilers2023.2.1 xmlf90/1.6.3`

xorg-macros

X.org macros utilities.

Versions	Environment loading command (via Lmod)
1.20.0	`GCCcore/13.2.0 xorg-macros/1.20.0`

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	Environment loading command (via Lmod)
1.2.7	`GCCcore/13.2.0 xprop/1.2.7`

xtb

xtb - An extended tight-binding semi-empirical program package.

Versions	Environment loading command (via Lmod)
6.7.1-ec4f388	`GCC/13.2.0 xtb/6.7.1-ec4f388`
6.7.1	`GCC/13.2.0 xtb/6.7.1`
6.6.1	`intel-compilers2023.2.1 xtb/6.6.1`

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	Environment loading command (via Lmod)
9.0.2112	`GCCcore/13.2.0 xxd/9.0.2112`
9.1.0307	`GCCcore/13.2.0 xxd/9.1.0307`

yaml-cpp

yaml-cpp is a YAML parser and emitter in C++ matching the YAML 1.2 spec

Versions	Environment loading command (via Lmod)
0.8.0	`GCCcore/13.2.0 yaml-cpp/0.8.0`

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	Environment loading command (via Lmod)
1.2.13	`GCCcore/13.2.0 zlib/1.2.13`
1.3.1	`GCCcore/13.3.0 zlib/1.3.1`
1.2.13	`zlib/1.2.13`
1.3.1	`zlib/1.3.1`

zsh

Zsh is a shell designed for interactive use, although it is also a powerful scripting language.

Versions	Environment loading command (via Lmod)
5.9	`zsh/5.9`

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	Environment loading command (via Lmod)
1.5.5	`GCCcore/13.2.0 zstd/1.5.5`
1.5.6	`GCCcore/13.3.0 zstd/1.5.6`

Last update: October 9, 2025