PLGrid Documentation

Lem CPU

ABINIT

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

Versions Environment loading command (via Lmod)
10.2
ABINIT/10.2

AMS

This is Amsterdam Modeling Suite (AMS) 2025.102, formerly ADF.

Versions Environment loading command (via Lmod)
2025
AMS/2025

ANTLR

ANTLR, ANother Tool for Language Recognition, (formerly PCCTS) is a language tool that provides a framework for constructing recognizers, compilers, and translators from grammatical descriptions containing Java, C#, C++, or Python actions.

Versions Environment loading command (via Lmod)
2.7.7-GCCcore-12.3
ANTLR/2.7.7-GCCcore-12.3

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-14.2
AOCL-BLAS/5.0-GCC-14.2

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-13.3
ATK/2.38.0-GCCcore-13.3
2.38.0-GCCcore-12.3
ATK/2.38.0-GCCcore-12.3

Alphafold

No description available

Versions Environment loading command (via Lmod)
3.0
Alphafold/3.0
2.3
Alphafold/2.3

Amber

AmberTools consists of several independently developed packages that work well by themselves, and with Amber24. The suite can also be used to carry out complete molecular dynamics simulations, with either explicit water or generalized Born solvent models.

Versions Environment loading command (via Lmod)
24-GCC-14.2
Amber/24-GCC-14.2

AmberTools

AmberTools consists of several independently developed packages that work well by themselves, and with Amber itself. The suite can also be used to carry out complete molecular dynamics simulations, with either explicit water or generalized Born solvent models.

Versions Environment loading command (via Lmod)
25-GCC-14.2
AmberTools/25-GCC-14.2

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)
14.0
Armadillo/14.0
11.4
Armadillo/11.4

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)
2.72-GCCcore-14.2
Autoconf/2.72-GCCcore-14.2
2.72-GCCcore-13.3
Autoconf/2.72-GCCcore-13.3
2.71-GCCcore-13.2
Autoconf/2.71-GCCcore-13.2
2.71-GCCcore-12.3
Autoconf/2.71-GCCcore-12.3
2.71-GCCcore-12.2
Autoconf/2.71-GCCcore-12.2
2.71-GCCcore-11.3
Autoconf/2.71-GCCcore-11.3
2.71-GCCcore-11.2
Autoconf/2.71-GCCcore-11.2
2.71-GCCcore-10.3
Autoconf/2.71-GCCcore-10.3
2
Autoconf/2

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. Over the years, it has been modified and improved to add new functionalities, and multiple engines have been developed.

Versions Environment loading command (via Lmod)
4.2.6-GCC-14.2
Autodock/4.2.6-GCC-14.2

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. Over the years, it has been modified and improved to add new functionalities, and multiple engines have been developed.

Versions Environment loading command (via Lmod)
4.2.6-GCC-14.2
Autogrid/4.2.6-GCC-14.2

Automake

Automake: GNU Standards-compliant Makefile generator

Versions Environment loading command (via Lmod)
1.17-GCCcore-14.2
Automake/1.17-GCCcore-14.2
1.16.5-GCCcore-13.3
Automake/1.16.5-GCCcore-13.3
1.16.5-GCCcore-13.2
Automake/1.16.5-GCCcore-13.2
1.16.5-GCCcore-12.3
Automake/1.16.5-GCCcore-12.3
1.16.5-GCCcore-12.2
Automake/1.16.5-GCCcore-12.2
1.16.5-GCCcore-11.3
Automake/1.16.5-GCCcore-11.3
1.16.4-GCCcore-11.2
Automake/1.16.4-GCCcore-11.2
1.16.3-GCCcore-10.3
Automake/1.16.3-GCCcore-10.3
1.16
Automake/1.16

Autotools

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

Versions Environment loading command (via Lmod)
20240712-GCCcore-14.2
Autotools/20240712-GCCcore-14.2
20231222-GCCcore-13.3
Autotools/20231222-GCCcore-13.3
20220317-GCCcore-13.2
Autotools/20220317-GCCcore-13.2
20220317-GCCcore-12.3
Autotools/20220317-GCCcore-12.3
20220317-GCCcore-12.2
Autotools/20220317-GCCcore-12.2
20220317-GCCcore-11.3
Autotools/20220317-GCCcore-11.3
20220317
Autotools/20220317
20210726-GCCcore-11.2
Autotools/20210726-GCCcore-11.2
20210128-GCCcore-10.3
Autotools/20210128-GCCcore-10.3

BAGEL

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

Versions Environment loading command (via Lmod)
1.2
BAGEL/1.2

BLIS

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

Versions Environment loading command (via Lmod)
1.1-GCC-14.2
BLIS/1.1-GCC-14.2
1.0-GCC-13.3
BLIS/1.0-GCC-13.3
0.9.0-GCC-13.2
BLIS/0.9.0-GCC-13.2
0.9.0-GCC-12.3
BLIS/0.9.0-GCC-12.3
0.9.0-GCC-12.2
BLIS/0.9.0-GCC-12.2
0.9.0-GCC-11.3
BLIS/0.9.0-GCC-11.3
0.8.1-GCC-10.3
BLIS/0.8.1-GCC-10.3

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-14.2
Bison/3.8.2-GCCcore-14.2
3.8.2-GCCcore-13.3
Bison/3.8.2-GCCcore-13.3
3.8.2-GCCcore-13.2
Bison/3.8.2-GCCcore-13.2
3.8.2-GCCcore-12.3
Bison/3.8.2-GCCcore-12.3
3.8.2-GCCcore-12.2
Bison/3.8.2-GCCcore-12.2
3.8.2-GCCcore-11.3
Bison/3.8.2-GCCcore-11.3
3.8
Bison/3.8
3.7.6-GCCcore-11.2
Bison/3.7.6-GCCcore-11.2
3.7.6-GCCcore-10.3
Bison/3.7.6-GCCcore-10.3
3.7.1-GCCcore-10.2
Bison/3.7.1-GCCcore-10.2
3.5.3-GCCcore-9.3
Bison/3.5.3-GCCcore-9.3

Block

Block implements the density matrix renormalization group (DMRG) algorithm for quantum chemistry.

Versions Environment loading command (via Lmod)
1.5
Block/1.5

BoltzTraP2

No description available

Versions Environment loading command (via Lmod)
Python-3.10.8-GCCcore-12.2
BoltzTraP2/Python-3.10.8-GCCcore-12.2

Boost

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

Versions Environment loading command (via Lmod)
1.88.0-GCC-14.2
Boost/1.88.0-GCC-14.2
1.85.0-GCC-13.3
Boost/1.85.0-GCC-13.3
1.83.0-GCC-13.2
Boost/1.83.0-GCC-13.2
1.82.0-GCC-12.3
Boost/1.82.0-GCC-12.3
1.79.0-GCC-11.3
Boost/1.79.0-GCC-11.3
1.76.0-GCC-10.3
Boost/1.76.0-GCC-10.3

Boost.MPI

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

Versions Environment loading command (via Lmod)
1.82
Boost.MPI/1.82

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-14.2
Brotli/1.1.0-GCCcore-14.2
1.1.0-GCCcore-13.3
Brotli/1.1.0-GCCcore-13.3
1.1.0-GCCcore-13.2
Brotli/1.1.0-GCCcore-13.2
1.0.9-GCCcore-12.3
Brotli/1.0.9-GCCcore-12.3
1.0.9-GCCcore-12.2
Brotli/1.0.9-GCCcore-12.2
1.0.9-GCCcore-11.3
Brotli/1.0.9-GCCcore-11.3
1.0.9-GCCcore-10.3
Brotli/1.0.9-GCCcore-10.3

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)
25.1
CASTEP/25.1

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)
6.0.1-GCCcore-14.2
CGAL/6.0.1-GCCcore-14.2
5.6-GCCcore-12.3
CGAL/5.6-GCCcore-12.3

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)
3.31.3-GCCcore-14.2
CMake/3.31.3-GCCcore-14.2
3.29.3-GCCcore-13.3
CMake/3.29.3-GCCcore-13.3
3.27.6-GCCcore-13.2
CMake/3.27.6-GCCcore-13.2
3.26.3-GCCcore-12.3
CMake/3.26.3-GCCcore-12.3
3.24.3-GCCcore-12.2
CMake/3.24.3-GCCcore-12.2
3.24.3-GCCcore-11.3
CMake/3.24.3-GCCcore-11.3
3.23.1-GCCcore-11.3
CMake/3.23.1-GCCcore-11.3
3.22.1-GCCcore-11.2
CMake/3.22.1-GCCcore-11.2
3.21.1-GCCcore-11.2
CMake/3.21.1-GCCcore-11.2
3.20.1-GCCcore-10.3
CMake/3.20.1-GCCcore-10.3
3.18.4-GCCcore-10.2
CMake/3.18.4-GCCcore-10.2

CP2K

CP2K is a quantum chemistry and solid state physics software package that can perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems.

Versions Environment loading command (via Lmod)
2025
CP2K/2025

CPMD

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

Versions Environment loading command (via Lmod)
4.3-GCC-14.2
CPMD/4.3-GCC-14.2
4.3-GCC-13.3
CPMD/4.3-GCC-13.3
4
CPMD/4

CPPE

CPPE is an open-source, light-weight C++ and Python library for Polarizable Embedding (PE)1,2 calculations. It provides an easy-to-use API to implement PE for ground-state self-consistent field (SCF) calculations and post-SCF methods. A convenient Python interface is also available.

Versions Environment loading command (via Lmod)
0.3.1-GCC-12.3
CPPE/0.3.1-GCC-12.3

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)
2
CREST/2

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)
12.6
CUDA/12.6

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)
2.13.10-GCCcore-14.2
Catch2/2.13.10-GCCcore-14.2
2.13.10-GCCcore-13.3
Catch2/2.13.10-GCCcore-13.3
2.13.9-GCCcore-13.2
Catch2/2.13.9-GCCcore-13.2
2.13.9-GCCcore-12.3
Catch2/2.13.9-GCCcore-12.3
2.13.9-GCCcore-12.2
Catch2/2.13.9-GCCcore-12.2

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
CheMPS2/1.8

Check

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

Versions Environment loading command (via Lmod)
0.15.2-GCCcore-14.2
Check/0.15.2-GCCcore-14.2

CoordgenLibs

Schrodinger-developed 2D Coordinate Generation

Versions Environment loading command (via Lmod)
3.0
CoordgenLibs/3.0

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)
3.1.1-GCCcore-14.2
Cython/3.1.1-GCCcore-14.2
3.0.10-GCCcore-13.3
Cython/3.0.10-GCCcore-13.3
3.0.8-GCCcore-12.3
Cython/3.0.8-GCCcore-12.3

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-12.2
DB/18.1.40-GCCcore-12.2
18.1.40-GCCcore-11.3
DB/18.1.40-GCCcore-11.3
18.1.40-GCCcore-11.2
DB/18.1.40-GCCcore-11.2
18.1.40-GCCcore-10.3
DB/18.1.40-GCCcore-10.3
18.1.40-GCCcore-10.2
DB/18.1.40-GCCcore-10.2

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)
1.16.2-GCCcore-14.2
DBus/1.16.2-GCCcore-14.2
1.15.8-GCCcore-13.3
DBus/1.15.8-GCCcore-13.3
1.15.8-GCCcore-13.2
DBus/1.15.8-GCCcore-13.2
1.15.4-GCCcore-12.3
DBus/1.15.4-GCCcore-12.3
1.15.2-GCCcore-12.2
DBus/1.15.2-GCCcore-12.2
1.14.0-GCCcore-11.3
DBus/1.14.0-GCCcore-11.3

DIRAC

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

Versions Environment loading command (via Lmod)
25.0-GCC-14.2
DIRAC/25.0-GCC-14.2
23
DIRAC/23

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
Dalton/2020

Dice

Dice contains code for performing SHCI, VMC, GFMC, DMC, FCIQMC, stochastic MRCI and SC-NEVPT2, and AFQMC calculations with a focus on ab initio systems.

Versions Environment loading command (via Lmod)
20240702-foss-2023a
Dice/20240702-foss-2023a

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)
1.14.0-GCCcore-14.2
Doxygen/1.14.0-GCCcore-14.2
1.11.0-GCCcore-13.3
Doxygen/1.11.0-GCCcore-13.3
1.11.0-GCC-14.2
Doxygen/1.11.0-GCC-14.2
1.9.8-GCCcore-13.2
Doxygen/1.9.8-GCCcore-13.2
1.9.7-GCCcore-12.3
Doxygen/1.9.7-GCCcore-12.3
1.9.5-GCCcore-12.2
Doxygen/1.9.5-GCCcore-12.2
1.9.4-GCCcore-11.3
Doxygen/1.9.4-GCCcore-11.3
1.9.1-GCCcore-10.3
Doxygen/1.9.1-GCCcore-10.3

EasyBuild

EasyBuild is a software build and installation framework written in Python that allows you to install software in a structured, repeatable and robust way.

Versions Environment loading command (via Lmod)
5.1
EasyBuild/5.1
5.0
EasyBuild/5.0
4.9
EasyBuild/4.9

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-14.2
Eigen/3.4.0-GCCcore-14.2
3.4.0-GCCcore-13.3
Eigen/3.4.0-GCCcore-13.3
3.4.0-GCCcore-13.2
Eigen/3.4.0-GCCcore-13.2
3.4.0-GCCcore-12.3
Eigen/3.4.0-GCCcore-12.3
3.4.0-GCCcore-12.2
Eigen/3.4.0-GCCcore-12.2
3.4.0-GCCcore-11.3
Eigen/3.4.0-GCCcore-11.3
3.3.9-GCCcore-10.3
Eigen/3.3.9-GCCcore-10.3
3.3.8-GCCcore-10.2
Eigen/3.3.8-GCCcore-10.2

FEAST

No description available

Versions Environment loading command (via Lmod)
4
FEAST/4

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-14.2
FFTW/3.3.10-GCC-14.2
3.3.10-GCC-13.3
FFTW/3.3.10-GCC-13.3
3.3.10-GCC-13.2
FFTW/3.3.10-GCC-13.2
3.3.10-GCC-12.3
FFTW/3.3.10-GCC-12.3
3.3.10-GCC-12.2
FFTW/3.3.10-GCC-12.2
3.3.10-GCC-11.3
FFTW/3.3.10-GCC-11.3
3.3
FFTW/3.3

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
FFTW.MPI/3.3

FFmpeg

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

Versions Environment loading command (via Lmod)
7.1.1-GCCcore-14.2
FFmpeg/7.1.1-GCCcore-14.2
7.0.2-GCCcore-13.3
FFmpeg/7.0.2-GCCcore-13.3
6.0-GCCcore-13.2
FFmpeg/6.0-GCCcore-13.2
6.0-GCCcore-12.3
FFmpeg/6.0-GCCcore-12.3

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)
3.0.3-GCCcore-13.3
Flask/3.0.3-GCCcore-13.3
2.3.3-GCCcore-12.3
Flask/2.3.3-GCCcore-12.3
2.2.2-GCCcore-11.3
Flask/2.2.2-GCCcore-11.3

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)
3.4.5-GCC-14.2
FlexiBLAS/3.4.5-GCC-14.2
3.4.4-GCC-13.3
FlexiBLAS/3.4.4-GCC-13.3
3.3.1-GCC-13.2
FlexiBLAS/3.3.1-GCC-13.2
3.3.1-GCC-12.3
FlexiBLAS/3.3.1-GCC-12.3
3.2.0-GCC-11.3
FlexiBLAS/3.2.0-GCC-11.3
3.0.4-GCC-10.3
FlexiBLAS/3.0.4-GCC-10.3

FriBidi

The Free Implementation of the Unicode Bidirectional Algorithm.

Versions Environment loading command (via Lmod)
1.0.16-GCCcore-14.2
FriBidi/1.0.16-GCCcore-14.2
1.0.15-GCCcore-13.3
FriBidi/1.0.15-GCCcore-13.3
1.0.13-GCCcore-13.2
FriBidi/1.0.13-GCCcore-13.2
1.0.12-GCCcore-12.3
FriBidi/1.0.12-GCCcore-12.3
1.0.12-GCCcore-12.2
FriBidi/1.0.12-GCCcore-12.2
1.0.12-GCCcore-11.3
FriBidi/1.0.12-GCCcore-11.3

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)
14.2
GCC/14.2
13.3
GCC/13.3
13.2
GCC/13.2
12.3
GCC/12.3
12.2
GCC/12.2
11.3
GCC/11.3
11.2
GCC/11.2
10.3
GCC/10.3
10.2
GCC/10.2

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)
15.1
GCCcore/15.1
14.2
GCCcore/14.2
13.3
GCCcore/13.3
13.2
GCCcore/13.2
12.3
GCCcore/12.3
12.2
GCCcore/12.2
11.3
GCCcore/11.3
11.2
GCCcore/11.2
10.3
GCCcore/10.3
10.2
GCCcore/10.2
9.3
GCCcore/9.3

GDAL

GDAL is a translator library for raster geospatial data formats that is released under an X/MIT style Open Source license by the Open Source Geospatial Foundation. As a library, it presents a single abstract data model to the calling application for all supported formats. It also comes with a variety of useful commandline utilities for data translation and processing.

Versions Environment loading command (via Lmod)
3.5
GDAL/3.5
3.3
GDAL/3.3

GDB

The GNU Project Debugger

Versions Environment loading command (via Lmod)
14.2-GCCcore-13.3
GDB/14.2-GCCcore-13.3

GDRCopy

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

Versions Environment loading command (via Lmod)
2.4.1-GCCcore-13.3
GDRCopy/2.4.1-GCCcore-13.3

GEOS

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

Versions Environment loading command (via Lmod)
3.10.3-GCC-11.3
GEOS/3.10.3-GCC-11.3
3.9.1-GCC-10.3
GEOS/3.9.1-GCC-10.3

GLib

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

Versions Environment loading command (via Lmod)
2.85.1-GCCcore-14.2
GLib/2.85.1-GCCcore-14.2
2.80.4-GCCcore-13.3
GLib/2.80.4-GCCcore-13.3
2.78.1-GCCcore-13.2
GLib/2.78.1-GCCcore-13.2
2.77.1-GCCcore-12.3
GLib/2.77.1-GCCcore-12.3
2.75.0-GCCcore-12.2
GLib/2.75.0-GCCcore-12.2
2.72.1-GCCcore-11.3
GLib/2.72.1-GCCcore-11.3

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-14.2
GMP/6.3.0-GCCcore-14.2
6.3.0-GCCcore-13.3
GMP/6.3.0-GCCcore-13.3
6.2.1-GCCcore-12.3
GMP/6.2.1-GCCcore-12.3
6.2.1-GCCcore-12.2
GMP/6.2.1-GCCcore-12.2
6.2.1-GCCcore-11.3
GMP/6.2.1-GCCcore-11.3
6.2.1-GCCcore-11.2
GMP/6.2.1-GCCcore-11.2
6.2.1-GCCcore-10.3
GMP/6.2.1-GCCcore-10.3

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)
1.84.0-GCCcore-14.2
GObject-Introspection/1.84.0-GCCcore-14.2
1.80.1-GCCcore-13.3
GObject-Introspection/1.80.1-GCCcore-13.3
1.78.1-GCCcore-13.2
GObject-Introspection/1.78.1-GCCcore-13.2
1.76.1-GCCcore-12.3
GObject-Introspection/1.76.1-GCCcore-12.3
1.74.0-GCCcore-12.2
GObject-Introspection/1.74.0-GCCcore-12.2
1.72.0-GCCcore-11.3
GObject-Introspection/1.72.0-GCCcore-11.3

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 CPU only build, containing both MPI and threadMPI binaries for both single and double precision. It also contains the gmxapi extension for the single precision MPI build.

Versions Environment loading command (via Lmod)
2024
GROMACS/2024
2023
GROMACS/2023

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)
2.8-GCC-13.3
GSL/2.8-GCC-13.3
2.7-GCC-12.3
GSL/2.7-GCC-12.3

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)
3.24.42-GCCcore-13.3
GTK3/3.24.42-GCCcore-13.3
3.24.37-GCCcore-12.3
GTK3/3.24.37-GCCcore-12.3

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)
2.42.12-GCCcore-14.2
Gdk-Pixbuf/2.42.12-GCCcore-14.2
2.42.11-GCCcore-13.3
Gdk-Pixbuf/2.42.11-GCCcore-13.3
2.42.10-GCCcore-12.3
Gdk-Pixbuf/2.42.10-GCCcore-12.3

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)
10.03.1-GCCcore-13.3
Ghostscript/10.03.1-GCCcore-13.3

GlobalArrays

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

Versions Environment loading command (via Lmod)
5.8
GlobalArrays/5.8

GnuTLS

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

Versions Environment loading command (via Lmod)
3.8.4-GCCcore-12.3
GnuTLS/3.8.4-GCCcore-12.3

Guile

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

Versions Environment loading command (via Lmod)
3.0.9-GCCcore-12.3
Guile/3.0.9-GCCcore-12.3

HDF

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

Versions Environment loading command (via Lmod)
4.2.15-GCCcore-11.3
HDF/4.2.15-GCCcore-11.3
4.2.15-GCCcore-10.3
HDF/4.2.15-GCCcore-10.3

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)
1.14.5-GCC-14.2
HDF5/1.14.5-GCC-14.2
1.14.5-GCC-13.3
HDF5/1.14.5-GCC-13.3
1.14
HDF5/1.14
1.12
HDF5/1.12
1.10
HDF5/1.10

HarfBuzz

HarfBuzz is an OpenType text shaping engine.

Versions Environment loading command (via Lmod)
11.2.1-GCCcore-14.2
HarfBuzz/11.2.1-GCCcore-14.2
9.0.0-GCCcore-13.3
HarfBuzz/9.0.0-GCCcore-13.3
8.2.2-GCCcore-13.2
HarfBuzz/8.2.2-GCCcore-13.2
5.3.1-GCCcore-12.3
HarfBuzz/5.3.1-GCCcore-12.3
5.3.1-GCCcore-12.2
HarfBuzz/5.3.1-GCCcore-12.2
4.2.1-GCCcore-11.3
HarfBuzz/4.2.1-GCCcore-11.3

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)
76.1-GCCcore-14.2
ICU/76.1-GCCcore-14.2
75.1-GCCcore-13.3
ICU/75.1-GCCcore-13.3
74.1-GCCcore-13.2
ICU/74.1-GCCcore-13.2
73.2-GCCcore-12.3
ICU/73.2-GCCcore-12.3
72.1-GCCcore-12.2
ICU/72.1-GCCcore-12.2
71.1-GCCcore-11.3
ICU/71.1-GCCcore-11.3
69.1-GCCcore-10.3
ICU/69.1-GCCcore-10.3

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-13.3
ISL/0.26-GCCcore-13.3

ImageMagick

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

Versions Environment loading command (via Lmod)
7.1.1-38-GCCcore-13.3
ImageMagick/7.1.1-38-GCCcore-13.3

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)
4.2.5-GCCcore-14.2
JasPer/4.2.5-GCCcore-14.2
4.2.4-GCCcore-13.3
JasPer/4.2.4-GCCcore-13.3
4.0.0-GCCcore-13.2
JasPer/4.0.0-GCCcore-13.2
4.0.0-GCCcore-12.3
JasPer/4.0.0-GCCcore-12.3
4.0.0-GCCcore-12.2
JasPer/4.0.0-GCCcore-12.2
2.0.33-GCCcore-11.3
JasPer/2.0.33-GCCcore-11.3
2.0.28-GCCcore-10.3
JasPer/2.0.28-GCCcore-10.3

Java

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

Versions Environment loading command (via Lmod)
21.0
Java/21.0
11.0
Java/11.0

KaHIP

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

Versions Environment loading command (via Lmod)
3
KaHIP/3

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-14.2
LAME/3.100-GCCcore-14.2
3.100-GCCcore-13.3
LAME/3.100-GCCcore-13.3
3.100-GCCcore-13.2
LAME/3.100-GCCcore-13.2
3.100-GCCcore-12.3
LAME/3.100-GCCcore-12.3

LAMMPS

LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. LAMMPS has potentials for solid-state materials (metals, semiconductors) and soft matter (biomolecules, polymers) and coarse-grained or mesoscopic systems. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale. LAMMPS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is designed to be easy to modify or extend with new functionality.

Versions Environment loading command (via Lmod)
29Aug2024_update3-foss-2024a-kdm
LAMMPS/29Aug2024_update3-foss-2024a-kdm

LAPACK

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)
3.12.1-GCC-13.3
LAPACK/3.12.1-GCC-13.3
3.12.0-GCC-14.2
LAPACK/3.12.0-GCC-14.2
3.12.0-GCC-13.3
LAPACK/3.12.0-GCC-13.3

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"). The LLVM Core libraries are well documented, and it is particularly easy to invent your own language (or port an existing compiler) to use LLVM as an optimizer and code generator.

Versions Environment loading command (via Lmod)
20.1.7-GCCcore-14.2
LLVM/20.1.7-GCCcore-14.2
18.1.8-GCCcore-13.3
LLVM/18.1.8-GCCcore-13.3
16.0.6-GCCcore-13.2
LLVM/16.0.6-GCCcore-13.2
16.0.6-GCCcore-12.3
LLVM/16.0.6-GCCcore-12.3
15.0.5-GCCcore-12.2
LLVM/15.0.5-GCCcore-12.2
14.0.3-GCCcore-11.3
LLVM/14.0.3-GCCcore-11.3

LadmeOS

No description available

Versions Environment loading command (via Lmod)
ladmeos2
LadmeOS/ladmeos2

LibTIFF

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

Versions Environment loading command (via Lmod)
4.7.0-GCCcore-14.2
LibTIFF/4.7.0-GCCcore-14.2
4.6.0-GCCcore-13.3
LibTIFF/4.6.0-GCCcore-13.3
4.6.0-GCCcore-13.2
LibTIFF/4.6.0-GCCcore-13.2
4.5.0-GCCcore-12.3
LibTIFF/4.5.0-GCCcore-12.3
4.3.0-GCCcore-11.3
LibTIFF/4.3.0-GCCcore-11.3
4.2.0-GCCcore-10.3
LibTIFF/4.2.0-GCCcore-10.3

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)
2.9.0-GCC-13.3
Libint/2.9.0-GCC-13.3
2.7.2-GCC-12.3
Libint/2.7.2-GCC-12.3

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)
2.17-GCCcore-14.2
LittleCMS/2.17-GCCcore-14.2
2.16-GCCcore-13.3
LittleCMS/2.16-GCCcore-13.3

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)
5.4.7-GCCcore-13.3
Lua/5.4.7-GCCcore-13.3
5.4.6-GCCcore-12.3
Lua/5.4.6-GCCcore-12.3
5.4.4-GCCcore-12.2
Lua/5.4.4-GCCcore-12.2
5.4.4-GCCcore-11.3
Lua/5.4.4-GCCcore-11.3

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-14.2
M4/1.4.19-GCCcore-14.2
1.4.19-GCCcore-13.3
M4/1.4.19-GCCcore-13.3
1.4.19-GCCcore-13.2
M4/1.4.19-GCCcore-13.2
1.4.19-GCCcore-12.3
M4/1.4.19-GCCcore-12.3
1.4.19-GCCcore-12.2
M4/1.4.19-GCCcore-12.2
1.4.19-GCCcore-11.3
M4/1.4.19-GCCcore-11.3
1.4.19-GCCcore-11.2
M4/1.4.19-GCCcore-11.2
1.4.18-GCCcore-10.3
M4/1.4.18-GCCcore-10.3
1.4.18-GCCcore-10.2
M4/1.4.18-GCCcore-10.2
1.4.18-GCCcore-9.3
M4/1.4.18-GCCcore-9.3
1.4
M4/1.4

MDI

The MolSSI Driver Interface (MDI) project provides a standardized API for fast, on-the-fly communication between computational chemistry codes. This greatly simplifies the process of implementing methods that require the cooperation of multiple software packages and enables developers to write a single implementation that works across many different codes. The API is sufficiently general to support a wide variety of techniques, including QM/MM, ab initio MD, machine learning, advanced sampling, and path integral MD, while also being straightforwardly extensible. Communication between codes is handled by the MDI Library, which enables tight coupling between codes using either the MPI or TCP/IP methods.

Versions Environment loading command (via Lmod)
1.4
MDI/1.4

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-12.3
METIS/5.1.0-GCCcore-12.3

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-13.3
MPC/1.3.1-GCCcore-13.3

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-13.3
MPFR/4.2.1-GCCcore-13.3
4.2.0-GCCcore-12.3
MPFR/4.2.0-GCCcore-12.3

MPICH

MPICH is a high-performance and widely portable implementation of the Message Passing Interface (MPI) standard (MPI-1, MPI-2 and MPI-3).

Versions Environment loading command (via Lmod)
4.3.0-GCC-14.2
MPICH/4.3.0-GCC-14.2
4.2.2-GCC-13.3
MPICH/4.2.2-GCC-13.3

Mako

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

Versions Environment loading command (via Lmod)
1.3.10-GCCcore-14.2
Mako/1.3.10-GCCcore-14.2
1.3.5-GCCcore-13.3
Mako/1.3.5-GCCcore-13.3
1.2.4-GCCcore-13.2
Mako/1.2.4-GCCcore-13.2
1.2.4-GCCcore-12.3
Mako/1.2.4-GCCcore-12.3
1.2.4-GCCcore-12.2
Mako/1.2.4-GCCcore-12.2
1.2.0-GCCcore-11.3
Mako/1.2.0-GCCcore-11.3

Mamba

Mamba is a fast, robust, and cross-platform package manager. It runs on Windows, OS X and Linux (ARM64 and PPC64LE included) and is fully compatible with conda packages and supports most of conda's commands.

Versions Environment loading command (via Lmod)
23.11
Mamba/23.11

Mesa

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

Versions Environment loading command (via Lmod)
25.1.3-GCCcore-14.2
Mesa/25.1.3-GCCcore-14.2
24.1.3-GCCcore-13.3
Mesa/24.1.3-GCCcore-13.3
23.1.9-GCCcore-13.2
Mesa/23.1.9-GCCcore-13.2
23.1.4-GCCcore-12.3
Mesa/23.1.4-GCCcore-12.3
22.2.4-GCCcore-12.2
Mesa/22.2.4-GCCcore-12.2
22.0.3-GCCcore-11.3
Mesa/22.0.3-GCCcore-11.3

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)
1.6.1-GCCcore-14.2
Meson/1.6.1-GCCcore-14.2
1.4.0-GCCcore-13.3
Meson/1.4.0-GCCcore-13.3
1.2.3-GCCcore-13.2
Meson/1.2.3-GCCcore-13.2
1.1.1-GCCcore-12.3
Meson/1.1.1-GCCcore-12.3
0.64.0-GCCcore-12.2
Meson/0.64.0-GCCcore-12.2
0.62.1-GCCcore-11.3
Meson/0.62.1-GCCcore-11.3

Miniforge3

Miniforge is a free minimal installer for conda and Mamba specific to conda-forge.

Versions Environment loading command (via Lmod)
24.11
Miniforge3/24.11

Molden

Molden is a package for displaying Molecular Density from the Ab Initio packages GAMESS-UK, GAMESS-US and GAUSSIAN and the Semi-Empirical packages Mopac/Ampac

Versions Environment loading command (via Lmod)
7.3-GCCcore-13.3
Molden/7.3-GCCcore-13.3

NAMD

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

Versions Environment loading command (via Lmod)
3.0
NAMD/3.0
2
NAMD/2

NASM

NASM: General-purpose x86 assembler

Versions Environment loading command (via Lmod)
2.16.03-GCCcore-14.2
NASM/2.16.03-GCCcore-14.2
2.16.03-GCCcore-13.3
NASM/2.16.03-GCCcore-13.3
2.16.01-GCCcore-13.2
NASM/2.16.01-GCCcore-13.2
2.16.01-GCCcore-12.3
NASM/2.16.01-GCCcore-12.3
2.15.05-GCCcore-12.2
NASM/2.15.05-GCCcore-12.2
2.15.05-GCCcore-11.3
NASM/2.15.05-GCCcore-11.3
2.15.05-GCCcore-10.3
NASM/2.15.05-GCCcore-10.3

NBO

No description available

Versions Environment loading command (via Lmod)
7
NBO/7

NCCL

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

Versions Environment loading command (via Lmod)
2.22.3-GCCcore-13.3.0-CUDA-12.6
NCCL/2.22.3-GCCcore-13.3.0-CUDA-12.6

NCIPLOT

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

Versions Environment loading command (via Lmod)
4.3-GCC-14.2
NCIPLOT/4.3-GCC-14.2
4
NCIPLOT/4

NECI

Standalone NECI codebase designed for FCIQMC and other stochastic quantum chemistry methods.

Versions Environment loading command (via Lmod)
20230620-foss-2023a
NECI/20230620-foss-2023a

NSPR

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

Versions Environment loading command (via Lmod)
4.36-GCCcore-14.2
NSPR/4.36-GCCcore-14.2
4.35-GCCcore-13.3
NSPR/4.35-GCCcore-13.3
4.35-GCCcore-13.2
NSPR/4.35-GCCcore-13.2
4.35-GCCcore-12.3
NSPR/4.35-GCCcore-12.3
4.35-GCCcore-12.2
NSPR/4.35-GCCcore-12.2
4.34-GCCcore-11.3
NSPR/4.34-GCCcore-11.3

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)
3.113-GCCcore-14.2
NSS/3.113-GCCcore-14.2
3.104-GCCcore-13.3
NSS/3.104-GCCcore-13.3
3.94-GCCcore-13.2
NSS/3.94-GCCcore-13.2
3.89.1-GCCcore-12.3
NSS/3.89.1-GCCcore-12.3
3.85-GCCcore-12.2
NSS/3.85-GCCcore-12.2
3.79-GCCcore-11.3
NSS/3.79-GCCcore-11.3

NVHPC

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

Versions Environment loading command (via Lmod)
24.9-CUDA-12.6
NVHPC/24.9-CUDA-12.6

NWChem

NWChem aims to provide its users with computational chemistry tools that are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters. NWChem software can handle: biomolecules, nanostructures, and solid-state; from quantum to classical, and all combinations; Gaussian basis functions or plane-waves; scaling from one to thousands of processors; properties and relativity.

Versions Environment loading command (via Lmod)
7.2
NWChem/7.2

Ninja

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

Versions Environment loading command (via Lmod)
1.12.1-GCCcore-14.2
Ninja/1.12.1-GCCcore-14.2
1.12.1-GCCcore-13.3
Ninja/1.12.1-GCCcore-13.3
1.11.1-GCCcore-13.2
Ninja/1.11.1-GCCcore-13.2
1.11.1-GCCcore-12.3
Ninja/1.11.1-GCCcore-12.3
1.11.1-GCCcore-12.2
Ninja/1.11.1-GCCcore-12.2
1.10.2-GCCcore-11.3
Ninja/1.10.2-GCCcore-11.3

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)
6.1
ORCA/6.1
6.0
ORCA/6.0

OSPRay

Open, Scalable, and Portable Ray Tracing Engine

Versions Environment loading command (via Lmod)
2.12
OSPRay/2.12

OpenBLAS

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

Versions Environment loading command (via Lmod)
0.3.29-GCC-14.2
OpenBLAS/0.3.29-GCC-14.2
0.3.28-GCC-13.3
OpenBLAS/0.3.28-GCC-13.3
0.3.27-GCC-13.3
OpenBLAS/0.3.27-GCC-13.3
0.3.24-GCC-13.2
OpenBLAS/0.3.24-GCC-13.2
0.3.23-GCC-12.3
OpenBLAS/0.3.23-GCC-12.3
0.3.21-GCC-11.3
OpenBLAS/0.3.21-GCC-11.3
0.3.20-GCC-11.3
OpenBLAS/0.3.20-GCC-11.3
0.3.15-GCC-10.3
OpenBLAS/0.3.15-GCC-10.3
0.3.12-GCC-10.2
OpenBLAS/0.3.12-GCC-10.2

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
OpenBabel/3.1

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-foss-2023a
OpenFOAM/v2406-foss-2023a

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)
2.5.3-GCCcore-14.2
OpenJPEG/2.5.3-GCCcore-14.2
2.5.0-GCCcore-11.3
OpenJPEG/2.5.0-GCCcore-11.3

OpenMPI

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

Versions Environment loading command (via Lmod)
5.0.7-GCC-14.2
OpenMPI/5.0.7-GCC-14.2
5.0.6-GCC-13.3
OpenMPI/5.0.6-GCC-13.3
5.0.3-GCC-13.3
OpenMPI/5.0.3-GCC-13.3
4.1.6-GCC-13.2
OpenMPI/4.1.6-GCC-13.2
4.1.5-GCC-12.3
OpenMPI/4.1.5-GCC-12.3
4.1.4-GCC-12.2
OpenMPI/4.1.4-GCC-12.2
4.1.4-GCC-11.3
OpenMPI/4.1.4-GCC-11.3
4.1.1-GCC-10.3
OpenMPI/4.1.1-GCC-10.3

OpenMolcas

OpenMolcas is a quantum chemistry software package.

Versions Environment loading command (via Lmod)
25.02-GCC-13.3
OpenMolcas/25.02-GCC-13.3
25
OpenMolcas/25
23
OpenMolcas/23

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)
3
OpenSSL/3
1
OpenSSL/1

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-13.3
PCRE/8.45-GCCcore-13.3
8.45-GCCcore-12.3
PCRE/8.45-GCCcore-12.3
8.45-GCCcore-11.3
PCRE/8.45-GCCcore-11.3
8.44-GCCcore-10.3
PCRE/8.44-GCCcore-10.3

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)
10.45-GCCcore-14.2
PCRE2/10.45-GCCcore-14.2
10.43-GCCcore-13.3
PCRE2/10.43-GCCcore-13.3
10.42-GCCcore-13.2
PCRE2/10.42-GCCcore-13.2
10.42-GCCcore-12.3
PCRE2/10.42-GCCcore-12.3
10.40-GCCcore-12.2
PCRE2/10.40-GCCcore-12.2
10.40-GCCcore-11.3
PCRE2/10.40-GCCcore-11.3

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
PLUMED/2.9

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)
5.0.6-GCCcore-14.2
PMIx/5.0.6-GCCcore-14.2
5.0.2-GCCcore-13.3
PMIx/5.0.2-GCCcore-13.3
4.2.6-GCCcore-13.2
PMIx/4.2.6-GCCcore-13.2
4.2.4-GCCcore-12.3
PMIx/4.2.4-GCCcore-12.3
4.2.2-GCCcore-12.2
PMIx/4.2.2-GCCcore-12.2
4.1.2-GCCcore-11.3
PMIx/4.1.2-GCCcore-11.3
4.1.0-GCCcore-11.2
PMIx/4.1.0-GCCcore-11.2
3.2.3-GCCcore-10.3
PMIx/3.2.3-GCCcore-10.3

PROJ

Program proj is a standard Unix filter function which converts geographic longitude and latitude coordinates into cartesian coordinates

Versions Environment loading command (via Lmod)
9.0.0-GCCcore-11.3
PROJ/9.0.0-GCCcore-11.3
8.0.1-GCCcore-10.3
PROJ/8.0.1-GCCcore-10.3

PRRTE

PRRTE is the PMIx Reference RunTime Environment

Versions Environment loading command (via Lmod)
3.0.8-GCCcore-14.2
PRRTE/3.0.8-GCCcore-14.2
3.0.5-GCCcore-13.3
PRRTE/3.0.5-GCCcore-13.3

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
PSI4/1.9

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)
1.56.3-GCCcore-14.2
Pango/1.56.3-GCCcore-14.2
1.54.0-GCCcore-13.3
Pango/1.54.0-GCCcore-13.3
1.50.14-GCCcore-12.3
Pango/1.50.14-GCCcore-12.3
1.50.12-GCCcore-12.2
Pango/1.50.12-GCCcore-12.2
1.50.7-GCCcore-11.3
Pango/1.50.7-GCCcore-11.3

ParaView

ParaView is a scientific parallel visualizer.

Versions Environment loading command (via Lmod)
6.0
ParaView/6.0
5.11
ParaView/5.11

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)
5.40.0-GCCcore-14.2
Perl/5.40.0-GCCcore-14.2
5.38.2-GCCcore-13.3
Perl/5.38.2-GCCcore-13.3
5.38.0-GCCcore-13.2
Perl/5.38.0-GCCcore-13.2
5.38
Perl/5.38
5.36.1-GCCcore-12.3
Perl/5.36.1-GCCcore-12.3
5.36.0-GCCcore-12.2
Perl/5.36.0-GCCcore-12.2
5.34.1-GCCcore-11.3
Perl/5.34.1-GCCcore-11.3
5.34.0-GCCcore-11.2
Perl/5.34.0-GCCcore-11.2
5.32.1-GCCcore-10.3
Perl/5.32.1-GCCcore-10.3
5.32.0-GCCcore-10.2
Perl/5.32.0-GCCcore-10.2

Perl-bundle-CPAN

A set of common packages from CPAN

Versions Environment loading command (via Lmod)
5.40.0-GCCcore-14.2
Perl-bundle-CPAN/5.40.0-GCCcore-14.2
5.38.2-GCCcore-13.3
Perl-bundle-CPAN/5.38.2-GCCcore-13.3
5.38.0-GCCcore-13.2
Perl-bundle-CPAN/5.38.0-GCCcore-13.2
5.36.1-GCCcore-12.3
Perl-bundle-CPAN/5.36.1-GCCcore-12.3

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)
11.3.0-GCCcore-14.2
Pillow/11.3.0-GCCcore-14.2
9.1.1-GCCcore-11.3
Pillow/9.1.1-GCCcore-11.3

Pint

Pint is a Python package to define, operate and manipulate physical quantities: the product of a numerical value and a unit of measurement. It allows arithmetic operations between them and conversions from and to different units.

Versions Environment loading command (via Lmod)
0.24.4-GCCcore-13.3
Pint/0.24.4-GCCcore-13.3
0.23-GCCcore-12.3
Pint/0.23-GCCcore-12.3

PnetCDF

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

Versions Environment loading command (via Lmod)
1.14
PnetCDF/1.14
1.13
PnetCDF/1.13
1.12
PnetCDF/1.12

PyBerny

PyBerny is an optimizer of molecular geometries with respect to the total energy, using nuclear gradient information.

Versions Environment loading command (via Lmod)
0.6
PyBerny/0.6

PyCheMPS2

PyCheMPS2 is a python interface to CheMPS2, for compilation without MPI. 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
PyCheMPS2/1.8

PyYAML

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

Versions Environment loading command (via Lmod)
6.0.2-GCCcore-14.2
PyYAML/6.0.2-GCCcore-14.2
6.0.2-GCCcore-13.3
PyYAML/6.0.2-GCCcore-13.3
6.0-GCCcore-12.3
PyYAML/6.0-GCCcore-12.3

Python

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

Versions Environment loading command (via Lmod)
3.13.1-GCCcore-14.2
Python/3.13.1-GCCcore-14.2
3.12.3-GCCcore-13.3
Python/3.12.3-GCCcore-13.3
3.11.5-GCCcore-13.2
Python/3.11.5-GCCcore-13.2
3.11.3-GCCcore-12.3
Python/3.11.3-GCCcore-12.3
3.10.8-GCCcore-12.2
Python/3.10.8-GCCcore-12.2
3.10.8-GCCcore-11.3
Python/3.10.8-GCCcore-11.3
3.10.4-GCCcore-11.3
Python/3.10.4-GCCcore-11.3
3.9.5-GCCcore-10.3
Python/3.9.5-GCCcore-10.3
2.7.18-GCCcore-12.2
Python/2.7.18-GCCcore-12.2
2.7.18-GCCcore-11.3
Python/2.7.18-GCCcore-11.3

Python-bundle-PyPI

Bundle of Python packages from PyPI

Versions Environment loading command (via Lmod)
2025.04-GCCcore-14.2
Python-bundle-PyPI/2025.04-GCCcore-14.2
2024.06-GCCcore-13.3
Python-bundle-PyPI/2024.06-GCCcore-13.3
2023.10-GCCcore-13.2
Python-bundle-PyPI/2023.10-GCCcore-13.2
2023.06-GCCcore-12.3
Python-bundle-PyPI/2023.06-GCCcore-12.3

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-14.2
Qhull/2020.2-GCCcore-14.2

Qt5

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

Versions Environment loading command (via Lmod)
5.15.16-GCCcore-13.3
Qt5/5.15.16-GCCcore-13.3
5.15.10-GCCcore-12.3
Qt5/5.15.10-GCCcore-12.3
5.15.5-GCCcore-11.3
Qt5/5.15.5-GCCcore-11.3

Qt6

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

Versions Environment loading command (via Lmod)
6.9.1-GCCcore-14.2
Qt6/6.9.1-GCCcore-14.2
6.7.2-GCCcore-13.3
Qt6/6.7.2-GCCcore-13.3

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)
7.4-GCC-MPI-14.2
QuantumESPRESSO/7.4-GCC-MPI-14.2
7.4-GCC-14.2
QuantumESPRESSO/7.4-GCC-14.2

R

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

Versions Environment loading command (via Lmod)
4.4
R/4.4

RASPA2

RASPA is a software package for simulating adsorption and diffusion of molecules in flexible nanoporous materials.

Versions Environment loading command (via Lmod)
2.0
RASPA2/2.0

RapidJSON

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

Versions Environment loading command (via Lmod)
1.1.0-20230928-GCCcore-12.3
RapidJSON/1.1.0-20230928-GCCcore-12.3

Rust

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

Versions Environment loading command (via Lmod)
1.85.1-GCCcore-14.2
Rust/1.85.1-GCCcore-14.2
1.78.0-GCCcore-13.3
Rust/1.78.0-GCCcore-13.3
1.75.0-GCCcore-12.3
Rust/1.75.0-GCCcore-12.3
1.73.0-GCCcore-13.2
Rust/1.73.0-GCCcore-13.2
1.70.0-GCCcore-12.3
Rust/1.70.0-GCCcore-12.3
1.65.0-GCCcore-12.2
Rust/1.65.0-GCCcore-12.2
1.60.0-GCCcore-11.3
Rust/1.60.0-GCCcore-11.3
1.52.1-GCCcore-10.3
Rust/1.52.1-GCCcore-10.3

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
SCOTCH/7.0

SDL2

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

Versions Environment loading command (via Lmod)
2.32.8-GCCcore-14.2
SDL2/2.32.8-GCCcore-14.2
2.30.6-GCCcore-13.3
SDL2/2.30.6-GCCcore-13.3
2.28.5-GCCcore-13.2
SDL2/2.28.5-GCCcore-13.2
2.28.2-GCCcore-12.3
SDL2/2.28.2-GCCcore-12.3

SQLite

SQLite: SQL Database Engine in a C Library

Versions Environment loading command (via Lmod)
3.47.2-GCCcore-14.2
SQLite/3.47.2-GCCcore-14.2
3.45.3-GCCcore-13.3
SQLite/3.45.3-GCCcore-13.3
3.43.1-GCCcore-13.2
SQLite/3.43.1-GCCcore-13.2
3.42.0-GCCcore-12.3
SQLite/3.42.0-GCCcore-12.3
3.39.4-GCCcore-12.2
SQLite/3.39.4-GCCcore-12.2
3.39.4-GCCcore-11.3
SQLite/3.39.4-GCCcore-11.3
3.38.3-GCCcore-11.3
SQLite/3.38.3-GCCcore-11.3
3.35.4-GCCcore-10.3
SQLite/3.35.4-GCCcore-10.3
3.33.0-GCCcore-10.2
SQLite/3.33.0-GCCcore-10.2

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-12.3
SWIG/4.1.1-GCCcore-12.3

ScaFaCoS

ScaFaCoS is a library of scalable fast coulomb solvers.

Versions Environment loading command (via Lmod)
1.0
ScaFaCoS/1.0

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)
2.2.2-GCC-13.3
ScaLAPACK/2.2.2-GCC-13.3
2.2
ScaLAPACK/2.2
2.1
ScaLAPACK/2.1

SciPy-bundle

Bundle of Python packages for scientific software

Versions Environment loading command (via Lmod)
2025
SciPy-bundle/2025
2024
SciPy-bundle/2024
2023
SciPy-bundle/2023
2022
SciPy-bundle/2022
2021
SciPy-bundle/2021

Siesta

SIESTA is both a method and its computer program implementation, to perform efficient electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids.

Versions Environment loading command (via Lmod)
5.2
Siesta/5.2

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
Simple-DFTD3/1.2

Szip

Szip compression software, providing lossless compression of scientific data

Versions Environment loading command (via Lmod)
2.1.1-GCCcore-14.2
Szip/2.1.1-GCCcore-14.2
2.1.1-GCCcore-13.3
Szip/2.1.1-GCCcore-13.3
2.1.1-GCCcore-13.2
Szip/2.1.1-GCCcore-13.2
2.1.1-GCCcore-12.3
Szip/2.1.1-GCCcore-12.3
2.1.1-GCCcore-12.2
Szip/2.1.1-GCCcore-12.2
2.1.1-GCCcore-11.3
Szip/2.1.1-GCCcore-11.3
2.1.1-GCCcore-10.3
Szip/2.1.1-GCCcore-10.3

TOML-Fortran

TOML parser for Fortran projects

Versions Environment loading command (via Lmod)
0.4.2-GCC-12.3
TOML-Fortran/0.4.2-GCC-12.3

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)
8.6.16-GCCcore-14.2
Tcl/8.6.16-GCCcore-14.2
8.6.14-GCCcore-13.3
Tcl/8.6.14-GCCcore-13.3
8.6.13-GCCcore-13.2
Tcl/8.6.13-GCCcore-13.2
8.6.13-GCCcore-12.3
Tcl/8.6.13-GCCcore-12.3
8.6.12-GCCcore-12.2
Tcl/8.6.12-GCCcore-12.2
8.6.12-GCCcore-11.3
Tcl/8.6.12-GCCcore-11.3
8.6.11-GCCcore-10.3
Tcl/8.6.11-GCCcore-10.3
8.6.10-GCCcore-10.2
Tcl/8.6.10-GCCcore-10.2

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)
8.6.16-GCCcore-14.2
Tk/8.6.16-GCCcore-14.2
8.6.14-GCCcore-13.3
Tk/8.6.14-GCCcore-13.3
8.6.13-GCCcore-13.2
Tk/8.6.13-GCCcore-13.2
8.6.13-GCCcore-12.3
Tk/8.6.13-GCCcore-12.3
8.6.12-GCCcore-11.3
Tk/8.6.12-GCCcore-11.3

Tkinter

Tkinter module, built with the Python buildsystem

Versions Environment loading command (via Lmod)
3.13.1-GCCcore-14.2
Tkinter/3.13.1-GCCcore-14.2
3.12.3-GCCcore-13.3
Tkinter/3.12.3-GCCcore-13.3
3.11.5-GCCcore-13.2
Tkinter/3.11.5-GCCcore-13.2
3.11.3-GCCcore-12.3
Tkinter/3.11.3-GCCcore-12.3
3.10.4-GCCcore-11.3
Tkinter/3.10.4-GCCcore-11.3

TurboVNC

TurboVNC is a derivative of VNC (Virtual Network Computing) that is tuned to provide peak performance for 3D and video workloads.

Versions Environment loading command (via Lmod)
3.1.2-GCCcore-13.3
TurboVNC/3.1.2-GCCcore-13.3

UCC

UCC (Unified Collective Communication) is a collective communication operations API and library that is flexible, complete, and feature-rich for current and emerging programming models and runtimes.

Versions Environment loading command (via Lmod)
1.3.0-GCCcore-14.2
UCC/1.3.0-GCCcore-14.2
1.3.0-GCCcore-13.3
UCC/1.3.0-GCCcore-13.3
1.2.0-GCCcore-13.2
UCC/1.2.0-GCCcore-13.2
1.2.0-GCCcore-12.3
UCC/1.2.0-GCCcore-12.3
1.1.0-GCCcore-12.2
UCC/1.1.0-GCCcore-12.2
1.0.0-GCCcore-11.3
UCC/1.0.0-GCCcore-11.3

UCC-CUDA

UCC (Unified Collective Communication) is a collective communication operations API and library that is flexible, complete, and feature-rich for current and emerging programming models and runtimes. This module adds the UCC CUDA support.

Versions Environment loading command (via Lmod)
1.3.0-GCCcore-13.3.0-CUDA-12.6
UCC-CUDA/1.3.0-GCCcore-13.3.0-CUDA-12.6

UCX

Unified Communication X An open-source production grade communication framework for data centric and high-performance applications

Versions Environment loading command (via Lmod)
1.18.0-GCCcore-14.2
UCX/1.18.0-GCCcore-14.2
1.16.0-GCCcore-13.3
UCX/1.16.0-GCCcore-13.3
1.15.0-GCCcore-13.2
UCX/1.15.0-GCCcore-13.2
1.14.1-GCCcore-12.3
UCX/1.14.1-GCCcore-12.3
1.13.1-GCCcore-12.2
UCX/1.13.1-GCCcore-12.2
1.12.1-GCCcore-11.3
UCX/1.12.1-GCCcore-11.3
1.11.2-GCCcore-11.2
UCX/1.11.2-GCCcore-11.2
1.10.0-GCCcore-10.3
UCX/1.10.0-GCCcore-10.3

UCX-CUDA

Unified Communication X An open-source production grade communication framework for data centric and high-performance applications This module adds the UCX CUDA support.

Versions Environment loading command (via Lmod)
1.16.0-GCCcore-13.3.0-CUDA-12.6
UCX-CUDA/1.16.0-GCCcore-13.3.0-CUDA-12.6

UDUNITS

UDUNITS supports conversion of unit specifications between formatted and binary forms, arithmetic manipulation of units, and conversion of values between compatible scales of measurement.

Versions Environment loading command (via Lmod)
2.2.28-GCCcore-12.3
UDUNITS/2.2.28-GCCcore-12.3
2.2.28-GCCcore-10.3
UDUNITS/2.2.28-GCCcore-10.3

UnZip

UnZip is an extraction utility for archives compressed in .zip format (also called "zipfiles"). Although highly compatible both with PKWARE's PKZIP and PKUNZIP utilities for MS-DOS and with Info-ZIP's own Zip program, our primary objectives have been portability and non-MSDOS functionality.

Versions Environment loading command (via Lmod)
6.0-GCCcore-14.2
UnZip/6.0-GCCcore-14.2
6.0-GCCcore-13.3
UnZip/6.0-GCCcore-13.3
6.0-GCCcore-13.2
UnZip/6.0-GCCcore-13.2
6.0-GCCcore-12.3
UnZip/6.0-GCCcore-12.3
6.0-GCCcore-12.2
UnZip/6.0-GCCcore-12.2
6.0-GCCcore-11.3
UnZip/6.0-GCCcore-11.3
6.0-GCCcore-11.2
UnZip/6.0-GCCcore-11.2
6.0-GCCcore-10.3
UnZip/6.0-GCCcore-10.3
6.0-GCCcore-10.2
UnZip/6.0-GCCcore-10.2

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)
1.88
VSCode/1.88

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)
9.3
VTK/9.3

Voro++

Voro++ is a software library for carrying out three-dimensional computations of the Voronoi tessellation. A distinguishing feature of the Voro++ library is that it carries out cell-based calculations, computing the Voronoi cell for each particle individually. It is particularly well-suited for applications that rely on cell-based statistics, where features of Voronoi cells (eg. volume, centroid, number of faces) can be used to analyze a system of particles.

Versions Environment loading command (via Lmod)
0.4.6-GCCcore-13.3
Voro++/0.4.6-GCCcore-13.3

Wannier90

A tool for obtaining maximally-localised Wannier functions

Versions Environment loading command (via Lmod)
3.1.0-GCC-14.2
Wannier90/3.1.0-GCC-14.2
3.1.0-GCC-13.3
Wannier90/3.1.0-GCC-13.3
3.1
Wannier90/3.1

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)
1.23.92-GCCcore-14.2
Wayland/1.23.92-GCCcore-14.2
1.23.0-GCCcore-13.3
Wayland/1.23.0-GCCcore-13.3
1.22.0-GCCcore-13.2
Wayland/1.22.0-GCCcore-13.2
1.22.0-GCCcore-12.3
Wayland/1.22.0-GCCcore-12.3

X11

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

Versions Environment loading command (via Lmod)
20250521-GCCcore-14.2
X11/20250521-GCCcore-14.2
20240607-GCCcore-13.3
X11/20240607-GCCcore-13.3
20231019-GCCcore-13.2
X11/20231019-GCCcore-13.2
20230603-GCCcore-12.3
X11/20230603-GCCcore-12.3
20221110-GCCcore-12.2
X11/20221110-GCCcore-12.2
20220504-GCCcore-11.3
X11/20220504-GCCcore-11.3

XCFun

Arbitrary order exchange-correlation functional library

Versions Environment loading command (via Lmod)
2.1.1-GCCcore-12.3
XCFun/2.1.1-GCCcore-12.3

XZ

xz: XZ utilities

Versions Environment loading command (via Lmod)
5.6.3-GCCcore-14.2
XZ/5.6.3-GCCcore-14.2
5.4.5-GCCcore-13.3
XZ/5.4.5-GCCcore-13.3
5.4.4-GCCcore-13.2
XZ/5.4.4-GCCcore-13.2
5.4.2-GCCcore-12.3
XZ/5.4.2-GCCcore-12.3
5.2.7-GCCcore-12.2
XZ/5.2.7-GCCcore-12.2
5.2.7-GCCcore-11.3
XZ/5.2.7-GCCcore-11.3
5.2.5-GCCcore-11.3
XZ/5.2.5-GCCcore-11.3
5.2.5-GCCcore-11.2
XZ/5.2.5-GCCcore-11.2
5.2.5-GCCcore-10.3
XZ/5.2.5-GCCcore-10.3
5.2.5-GCCcore-10.2
XZ/5.2.5-GCCcore-10.2

Yasm

Yasm: Complete rewrite of the NASM assembler with BSD license

Versions Environment loading command (via Lmod)
1.3.0-GCCcore-14.2
Yasm/1.3.0-GCCcore-14.2
1.3.0-GCCcore-13.3
Yasm/1.3.0-GCCcore-13.3
1.3.0-GCCcore-13.2
Yasm/1.3.0-GCCcore-13.2
1.3.0-GCCcore-12.3
Yasm/1.3.0-GCCcore-12.3

Z3

Z3 is a theorem prover from Microsoft Research with support for bitvectors, booleans, arrays, floating point numbers, strings, and other data types. This module includes z3-solver, the Python interface of Z3.

Versions Environment loading command (via Lmod)
4.13.4-GCCcore-14.2
Z3/4.13.4-GCCcore-14.2

ansys

No description available

Versions Environment loading command (via Lmod)
workbench
ansys/workbench
fluent
ansys/fluent
cfx
ansys/cfx
2024r2
ansys/2024r2

archspec

A library for detecting, labeling, and reasoning about microarchitectures

Versions Environment loading command (via Lmod)
0.2.5-GCCcore-13.3
archspec/0.2.5-GCCcore-13.3

arpack-ng

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

Versions Environment loading command (via Lmod)
3.9
arpack-ng/3.9
3.8
arpack-ng/3.8

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)
6.0.2-GCCcore-14.2
assimp/6.0.2-GCCcore-14.2
5.4.3-GCCcore-13.3
assimp/5.4.3-GCCcore-13.3
5.3.1-GCCcore-13.2
assimp/5.3.1-GCCcore-13.2

at-spi2-atk

AT-SPI 2 toolkit bridge

Versions Environment loading command (via Lmod)
2.38.0-GCCcore-13.3
at-spi2-atk/2.38.0-GCCcore-13.3
2.38.0-GCCcore-12.3
at-spi2-atk/2.38.0-GCCcore-12.3

at-spi2-core

Assistive Technology Service Provider Interface.

Versions Environment loading command (via Lmod)
2.54.0-GCCcore-13.3
at-spi2-core/2.54.0-GCCcore-13.3
2.49.91-GCCcore-12.3
at-spi2-core/2.49.91-GCCcore-12.3

binutils

binutils: GNU binary utilities

Versions Environment loading command (via Lmod)
2.42-GCCcore-14.2
binutils/2.42-GCCcore-14.2
2.42-GCCcore-13.3
binutils/2.42-GCCcore-13.3
2.40-GCCcore-13.2
binutils/2.40-GCCcore-13.2
2.40-GCCcore-12.3
binutils/2.40-GCCcore-12.3
2.39-GCCcore-12.2
binutils/2.39-GCCcore-12.2
2.38-GCCcore-11.3
binutils/2.38-GCCcore-11.3
2.37-GCCcore-11.2
binutils/2.37-GCCcore-11.2
2.36.1-GCCcore-10.3
binutils/2.36.1-GCCcore-10.3
2.36
binutils/2.36
2.35-GCCcore-10.2
binutils/2.35-GCCcore-10.2
2.34-GCCcore-9.3
binutils/2.34-GCCcore-9.3
2
binutils/2

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-14.2
bzip2/1.0.8-GCCcore-14.2
1.0.8-GCCcore-13.3
bzip2/1.0.8-GCCcore-13.3
1.0.8-GCCcore-13.2
bzip2/1.0.8-GCCcore-13.2
1.0.8-GCCcore-12.3
bzip2/1.0.8-GCCcore-12.3
1.0.8-GCCcore-12.2
bzip2/1.0.8-GCCcore-12.2
1.0.8-GCCcore-11.3
bzip2/1.0.8-GCCcore-11.3
1.0.8-GCCcore-11.2
bzip2/1.0.8-GCCcore-11.2
1.0.8-GCCcore-10.3
bzip2/1.0.8-GCCcore-10.3
1.0.8-GCCcore-10.2
bzip2/1.0.8-GCCcore-10.2
1.0.8-GCCcore-9.3
bzip2/1.0.8-GCCcore-9.3

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)
8.11.1-GCCcore-14.2
cURL/8.11.1-GCCcore-14.2
8.7.1-GCCcore-13.3
cURL/8.7.1-GCCcore-13.3
8.3.0-GCCcore-13.2
cURL/8.3.0-GCCcore-13.2
8.0.1-GCCcore-12.3
cURL/8.0.1-GCCcore-12.3
7.86.0-GCCcore-12.2
cURL/7.86.0-GCCcore-12.2
7.83.0-GCCcore-11.3
cURL/7.83.0-GCCcore-11.3
7.78.0-GCCcore-11.2
cURL/7.78.0-GCCcore-11.2
7.76.0-GCCcore-10.3
cURL/7.76.0-GCCcore-10.3
7.72.0-GCCcore-10.2
cURL/7.72.0-GCCcore-10.2
7.69.1-GCCcore-9.3
cURL/7.69.1-GCCcore-9.3

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)
1.18.4-GCCcore-14.2
cairo/1.18.4-GCCcore-14.2
1.18.0-GCCcore-13.3
cairo/1.18.0-GCCcore-13.3
1.18.0-GCCcore-13.2
cairo/1.18.0-GCCcore-13.2
1.17.8-GCCcore-12.3
cairo/1.17.8-GCCcore-12.3
1.17.4-GCCcore-12.2
cairo/1.17.4-GCCcore-12.2
1.17.4-GCCcore-11.3
cairo/1.17.4-GCCcore-11.3

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)
1.17.1-GCCcore-14.2
cffi/1.17.1-GCCcore-14.2
1.16.0-GCCcore-13.3
cffi/1.16.0-GCCcore-13.3
1.15.1-GCCcore-13.2
cffi/1.15.1-GCCcore-13.2
1.15.1-GCCcore-12.3
cffi/1.15.1-GCCcore-12.3

cfour

No description available

Versions Environment loading command (via Lmod)
2
cfour/2

comsol

No description available

Versions Environment loading command (via Lmod)
6
comsol/6

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)
1.3.1-GCCcore-14.2
cppy/1.3.1-GCCcore-14.2
1.2.1-GCCcore-13.3
cppy/1.2.1-GCCcore-13.3
1.2.1-GCCcore-13.2
cppy/1.2.1-GCCcore-13.2
1.2.1-GCCcore-12.3
cppy/1.2.1-GCCcore-12.3
1.2.1-GCCcore-11.3
cppy/1.2.1-GCCcore-11.3

cryptography

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

Versions Environment loading command (via Lmod)
44.0.2-GCCcore-14.2
cryptography/44.0.2-GCCcore-14.2
42.0.8-GCCcore-13.3
cryptography/42.0.8-GCCcore-13.3
41.0.5-GCCcore-13.2
cryptography/41.0.5-GCCcore-13.2
41.0.1-GCCcore-12.3
cryptography/41.0.1-GCCcore-12.3

crystal

No description available

Versions Environment loading command (via Lmod)
17.1.0.2-gfortran-9
crystal/17.1.0.2-gfortran-9

double-conversion

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

Versions Environment loading command (via Lmod)
3.3.1-GCCcore-14.2
double-conversion/3.3.1-GCCcore-14.2
3.3.0-GCCcore-13.3
double-conversion/3.3.0-GCCcore-13.3
3.3.0-GCCcore-13.2
double-conversion/3.3.0-GCCcore-13.2
3.3.0-GCCcore-12.3
double-conversion/3.3.0-GCCcore-12.3
3.2.1-GCCcore-12.2
double-conversion/3.2.1-GCCcore-12.2
3.2.0-GCCcore-11.3
double-conversion/3.2.0-GCCcore-11.3

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)
2.6.4-GCCcore-14.2
expat/2.6.4-GCCcore-14.2
2.6.2-GCCcore-13.3
expat/2.6.2-GCCcore-13.3
2.5.0-GCCcore-13.2
expat/2.5.0-GCCcore-13.2
2.5.0-GCCcore-12.3
expat/2.5.0-GCCcore-12.3
2.4.9-GCCcore-12.2
expat/2.4.9-GCCcore-12.2
2.4.8-GCCcore-11.3
expat/2.4.8-GCCcore-11.3
2.4.1-GCCcore-11.2
expat/2.4.1-GCCcore-11.2
2.2.9-GCCcore-10.3
expat/2.2.9-GCCcore-10.3
2.2.9-GCCcore-10.2
expat/2.2.9-GCCcore-10.2

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)
13.0.19
ffnvcodec/13.0.19
12.2.72
ffnvcodec/12.2.72
12.1.14
ffnvcodec/12.1.14
12.0.16
ffnvcodec/12.0.16

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-14.2
flex/2.6.4-GCCcore-14.2
2.6.4-GCCcore-13.3
flex/2.6.4-GCCcore-13.3
2.6.4-GCCcore-13.2
flex/2.6.4-GCCcore-13.2
2.6.4-GCCcore-12.3
flex/2.6.4-GCCcore-12.3
2.6.4-GCCcore-12.2
flex/2.6.4-GCCcore-12.2
2.6.4-GCCcore-11.3
flex/2.6.4-GCCcore-11.3
2.6.4-GCCcore-11.2
flex/2.6.4-GCCcore-11.2
2.6.4-GCCcore-10.3
flex/2.6.4-GCCcore-10.3
2.6.4-GCCcore-10.2
flex/2.6.4-GCCcore-10.2
2.6.4-GCCcore-9.3
flex/2.6.4-GCCcore-9.3
2.6
flex/2.6

flit

A simple packaging tool for simple packages.

Versions Environment loading command (via Lmod)
3.10.1-GCCcore-14.2
flit/3.10.1-GCCcore-14.2
3.9.0-GCCcore-13.3
flit/3.9.0-GCCcore-13.3
3.9.0-GCCcore-13.2
flit/3.9.0-GCCcore-13.2
3.9.0-GCCcore-12.3
flit/3.9.0-GCCcore-12.3

flook

The fortran-Lua-hook library.

Versions Environment loading command (via Lmod)
0.8.4-GCC-12.3
flook/0.8.4-GCC-12.3

fontconfig

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

Versions Environment loading command (via Lmod)
2.16.2-GCCcore-14.2
fontconfig/2.16.2-GCCcore-14.2
2.15.0-GCCcore-13.3
fontconfig/2.15.0-GCCcore-13.3
2.14.2-GCCcore-13.2
fontconfig/2.14.2-GCCcore-13.2
2.14.2-GCCcore-12.3
fontconfig/2.14.2-GCCcore-12.3
2.14.1-GCCcore-12.2
fontconfig/2.14.1-GCCcore-12.2
2.14.0-GCCcore-11.3
fontconfig/2.14.0-GCCcore-11.3

fonttools

fontTools is a library for manipulating fonts, written in Python. The project includes the TTX tool, that can convert TrueType and OpenType fonts to and from an XML text format, which is also called TTX. It supports TrueType, OpenType, AFM and to an extent Type 1 and some Mac-specific formats.

Versions Environment loading command (via Lmod)
4.58.4-GCCcore-14.2
fonttools/4.58.4-GCCcore-14.2
4.53.1-GCCcore-13.3
fonttools/4.53.1-GCCcore-13.3

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)
2025a
foss/2025a
2024a
foss/2024a
2023b
foss/2023b
2023a
foss/2023a
2022a
foss/2022a
2021a
foss/2021a

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)
2.13.3-GCCcore-14.2
freetype/2.13.3-GCCcore-14.2
2.13.2-GCCcore-13.3
freetype/2.13.2-GCCcore-13.3
2.13.2-GCCcore-13.2
freetype/2.13.2-GCCcore-13.2
2.13.0-GCCcore-12.3
freetype/2.13.0-GCCcore-12.3
2.12.1-GCCcore-12.2
freetype/2.12.1-GCCcore-12.2
2.12.1-GCCcore-11.3
freetype/2.12.1-GCCcore-11.3
2.10.4-GCCcore-10.3
freetype/2.10.4-GCCcore-10.3

g2clib

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

Versions Environment loading command (via Lmod)
1.6.3-GCCcore-10.3
g2clib/1.6.3-GCCcore-10.3

g2lib

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

Versions Environment loading command (via Lmod)
3.2.0-GCCcore-10.3
g2lib/3.2.0-GCCcore-10.3

ga

Global Arrays (GA) is a Partitioned Global Address Space (PGAS) programming model. It provides primitives for one-sided communication (Get, Put, Accumulate) and Atomic Operations (read increment). It supports blocking and non-blocking primtives, and supports location consistency.

Versions Environment loading command (via Lmod)
5.9.1-GCC-13.3
ga/5.9.1-GCC-13.3

gc

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

Versions Environment loading command (via Lmod)
8.2.4-GCCcore-12.3
gc/8.2.4-GCCcore-12.3

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)
0.24-GCCcore-14.2
gettext/0.24-GCCcore-14.2
0.22.5-GCCcore-13.3
gettext/0.22.5-GCCcore-13.3
0.22-GCCcore-13.2
gettext/0.22-GCCcore-13.2
0.22
gettext/0.22
0.21.1-GCCcore-12.3
gettext/0.21.1-GCCcore-12.3
0.21.1-GCCcore-12.2
gettext/0.21.1-GCCcore-12.2
0.21-GCCcore-11.3
gettext/0.21-GCCcore-11.3
0.21-GCCcore-11.2
gettext/0.21-GCCcore-11.2
0.21-GCCcore-10.3
gettext/0.21-GCCcore-10.3
0.21-GCCcore-10.2
gettext/0.21-GCCcore-10.2
0.21
gettext/0.21
0
gettext/0

gfbf

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

Versions Environment loading command (via Lmod)
2025a
gfbf/2025a
2024a
gfbf/2024a
2023b
gfbf/2023b
2023a
gfbf/2023a

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)
5.2.2-GCCcore-14.2
giflib/5.2.2-GCCcore-14.2
5.2.1-GCCcore-13.3
giflib/5.2.1-GCCcore-13.3
5.2.1-GCCcore-13.2
giflib/5.2.1-GCCcore-13.2

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)
2.49.0-GCCcore-14.2
git/2.49.0-GCCcore-14.2
2.45.1-GCCcore-13.3
git/2.45.1-GCCcore-13.3
2.42.0-GCCcore-13.2
git/2.42.0-GCCcore-13.2
2.41.0-GCCcore-12.3
git/2.41.0-GCCcore-12.3
2.38.1-GCCcore-12.2
git/2.38.1-GCCcore-12.2
2.36.0-GCCcore-11.3
git/2.36.0-GCCcore-11.3
2.33.1-GCCcore-11.2
git/2.33.1-GCCcore-11.2
2.32.0-GCCcore-10.3
git/2.32.0-GCCcore-10.3

glslang-SPIRV

Glslang is the official reference compiler front end for the OpenGL ES and OpenGL shading languages. It implements a strict interpretation of the specifications for these languages. It is open and free for anyone to use, either from a command line or programmatically. The OpenGL and OpenGL ES working groups are committed to maintaining consistency between the reference compiler and the corresponding shading language specifications.

Versions Environment loading command (via Lmod)
15.3.0-GCCcore-14.2
glslang-SPIRV/15.3.0-GCCcore-14.2

gnuplot

Portable interactive, function plotting utility

Versions Environment loading command (via Lmod)
6.0.1-GCCcore-13.3
gnuplot/6.0.1-GCCcore-13.3
5.4.8-GCCcore-12.3
gnuplot/5.4.8-GCCcore-12.3
5.4.4-GCCcore-11.3
gnuplot/5.4.4-GCCcore-11.3

gompi

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

Versions Environment loading command (via Lmod)
2025a
gompi/2025a
2024a
gompi/2024a
2023b
gompi/2023b
2023a
gompi/2023a
2022a
gompi/2022a
2021a
gompi/2021a

googletest

Google's framework for writing C++ tests on a variety of platforms

Versions Environment loading command (via Lmod)
1.11.0-GCCcore-11.3
googletest/1.11.0-GCCcore-11.3

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)
3.3-GCCcore-14.2
gperf/3.3-GCCcore-14.2
3.1-GCCcore-13.3
gperf/3.1-GCCcore-13.3
3.1-GCCcore-13.2
gperf/3.1-GCCcore-13.2
3.1-GCCcore-12.3
gperf/3.1-GCCcore-12.3
3.1-GCCcore-12.2
gperf/3.1-GCCcore-12.2
3.1-GCCcore-11.3
gperf/3.1-GCCcore-11.3

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-14.2
graphite2/1.3.14-GCCcore-14.2
1.3.14-GCCcore-13.3
graphite2/1.3.14-GCCcore-13.3
1.3.14-GCCcore-13.2
graphite2/1.3.14-GCCcore-13.2
1.3.14-GCCcore-12.3
graphite2/1.3.14-GCCcore-12.3
1.3.14-GCCcore-12.2
graphite2/1.3.14-GCCcore-12.2
1.3.14-GCCcore-11.3
graphite2/1.3.14-GCCcore-11.3

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-14.2
groff/1.23.0-GCCcore-14.2
1.23.0-GCCcore-13.3
groff/1.23.0-GCCcore-13.3
1.23.0-GCCcore-13.2
groff/1.23.0-GCCcore-13.2
1.22.4-GCCcore-12.3
groff/1.22.4-GCCcore-12.3
1.22.4-GCCcore-12.2
groff/1.22.4-GCCcore-12.2
1.22.4-GCCcore-11.3
groff/1.22.4-GCCcore-11.3
1.22.4-GCCcore-11.2
groff/1.22.4-GCCcore-11.2
1.22.4-GCCcore-10.3
groff/1.22.4-GCCcore-10.3
1.22.4-GCCcore-10.2
groff/1.22.4-GCCcore-10.2

gzip

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

Versions Environment loading command (via Lmod)
1.13-GCCcore-14.2
gzip/1.13-GCCcore-14.2
1.13-GCCcore-13.3
gzip/1.13-GCCcore-13.3
1.13-GCCcore-13.2
gzip/1.13-GCCcore-13.2
1.12-GCCcore-12.3
gzip/1.12-GCCcore-12.3
1.12-GCCcore-12.2
gzip/1.12-GCCcore-12.2
1.12-GCCcore-11.3
gzip/1.12-GCCcore-11.3
1.10-GCCcore-10.3
gzip/1.10-GCCcore-10.3

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)
3.14
h5py/3.14
3.9
h5py/3.9

hatchling

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

Versions Environment loading command (via Lmod)
1.27.0-GCCcore-14.2
hatchling/1.27.0-GCCcore-14.2
1.24.2-GCCcore-13.3
hatchling/1.24.2-GCCcore-13.3
1.18.0-GCCcore-13.2
hatchling/1.18.0-GCCcore-13.2
1.18.0-GCCcore-12.3
hatchling/1.18.0-GCCcore-12.3

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-14.2
help2man/1.49.3-GCCcore-14.2
1.49.3-GCCcore-13.3
help2man/1.49.3-GCCcore-13.3
1.49.3-GCCcore-13.2
help2man/1.49.3-GCCcore-13.2
1.49.3-GCCcore-12.3
help2man/1.49.3-GCCcore-12.3
1.49.2-GCCcore-12.2
help2man/1.49.2-GCCcore-12.2
1.49.2-GCCcore-11.3
help2man/1.49.2-GCCcore-11.3
1.48.3-GCCcore-11.2
help2man/1.48.3-GCCcore-11.2
1.48.3-GCCcore-10.3
help2man/1.48.3-GCCcore-10.3
1.47.16-GCCcore-10.2
help2man/1.47.16-GCCcore-10.2
1.47.12-GCCcore-9.3
help2man/1.47.12-GCCcore-9.3

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)
2.11.2-GCCcore-14.2
hwloc/2.11.2-GCCcore-14.2
2.10.0-GCCcore-13.3
hwloc/2.10.0-GCCcore-13.3
2.9.2-GCCcore-13.2
hwloc/2.9.2-GCCcore-13.2
2.9.1-GCCcore-12.3
hwloc/2.9.1-GCCcore-12.3
2.8.0-GCCcore-12.2
hwloc/2.8.0-GCCcore-12.2
2.7.1-GCCcore-11.3
hwloc/2.7.1-GCCcore-11.3
2.5.0-GCCcore-11.2
hwloc/2.5.0-GCCcore-11.2
2.4.1-GCCcore-10.3
hwloc/2.4.1-GCCcore-10.3

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)
6.133.2-GCCcore-14.2
hypothesis/6.133.2-GCCcore-14.2
6.103.1-GCCcore-13.3
hypothesis/6.103.1-GCCcore-13.3
6.90.0-GCCcore-13.2
hypothesis/6.90.0-GCCcore-13.2
6.82.0-GCCcore-12.3
hypothesis/6.82.0-GCCcore-12.3
6.68.2-GCCcore-12.2
hypothesis/6.68.2-GCCcore-12.2
6.46.7-GCCcore-11.3
hypothesis/6.46.7-GCCcore-11.3
6.13.1-GCCcore-10.3
hypothesis/6.13.1-GCCcore-10.3

iimkl

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

Versions Environment loading command (via Lmod)
2023a
iimkl/2023a

iimpi

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

Versions Environment loading command (via Lmod)
2025a
iimpi/2025a
2024a
iimpi/2024a
2023b
iimpi/2023b
2023a
iimpi/2023a
2022b
iimpi/2022b
2022a
iimpi/2022a

imkl

Intel oneAPI Math Kernel Library

Versions Environment loading command (via Lmod)
2025.1
imkl/2025.1
2024.2
imkl/2024.2
2023.1
imkl/2023.1

imkl-FFTW

FFTW interfaces using Intel oneAPI Math Kernel Library

Versions Environment loading command (via Lmod)
2025.1
imkl-FFTW/2025.1
2024.2
imkl-FFTW/2024.2
2023.1
imkl-FFTW/2023.1

impi

Intel MPI Library, compatible with MPICH ABI

Versions Environment loading command (via Lmod)
2021.15.0-intel-compilers-2025.1
impi/2021.15.0-intel-compilers-2025.1
2021.13.0-intel-compilers-2024.2
impi/2021.13.0-intel-compilers-2024.2
2021.10.0-intel-compilers-2023.2
impi/2021.10.0-intel-compilers-2023.2
2021.9.0-intel-compilers-2023.1
impi/2021.9.0-intel-compilers-2023.1
2021.7.1-intel-compilers-2022.2
impi/2021.7.1-intel-compilers-2022.2
2021.6.0-intel-compilers-2022.1
impi/2021.6.0-intel-compilers-2022.1

intel

The Intel® oneAPI Base Toolkit (Base Kit) is a core set of tools and libraries for developing high-performance, data-centric applications across diverse architectures. It features an industry-leading C++ compiler that implements SYCL*, an evolution of C++ for heterogeneous computing. Domain-specific libraries provide drop-in acceleration across relevant architectures. Enhanced profiling, design assistance, and debug tools complete the kit.

Versions Environment loading command (via Lmod)
OneAPI-2025.2
intel/OneAPI-2025.2
2025a
intel/2025a
2024a
intel/2024a
2023a
intel/2023a

intel-compilers

Intel C, C++ & Fortran compilers

Versions Environment loading command (via Lmod)
2025.1
intel-compilers/2025.1
2024.2
intel-compilers/2024.2
2023.2
intel-compilers/2023.2
2023.1
intel-compilers/2023.1
2022.2
intel-compilers/2022.2
2022.1
intel-compilers/2022.1

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-14.2
intltool/0.51.0-GCCcore-14.2
0.51.0-GCCcore-13.3
intltool/0.51.0-GCCcore-13.3
0.51.0-GCCcore-13.2
intltool/0.51.0-GCCcore-13.2
0.51.0-GCCcore-12.3
intltool/0.51.0-GCCcore-12.3
0.51.0-GCCcore-12.2
intltool/0.51.0-GCCcore-12.2
0.51.0-GCCcore-11.3
intltool/0.51.0-GCCcore-11.3

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-14.2
jbigkit/2.1-GCCcore-14.2
2.1-GCCcore-13.3
jbigkit/2.1-GCCcore-13.3
2.1-GCCcore-13.2
jbigkit/2.1-GCCcore-13.2
2.1-GCCcore-12.3
jbigkit/2.1-GCCcore-12.3
2.1-GCCcore-11.3
jbigkit/2.1-GCCcore-11.3
2.1-GCCcore-10.3
jbigkit/2.1-GCCcore-10.3

json-fortran

JSON-Fortran: A Modern Fortran JSON API

Versions Environment loading command (via Lmod)
9.0.2-GCC-12.3
json-fortran/9.0.2-GCC-12.3

kim-api

Open Knowledgebase of Interatomic Models. KIM is an API and OpenKIM is a collection of interatomic models (potentials) for atomistic simulations. This is a library that can be used by simulation programs to get access to the models in the OpenKIM database. This EasyBuild only installs the API, the models can be installed with the package openkim-models, or the user can install them manually by running kim-api-collections-management install user MODELNAME or kim-api-collections-management install user OpenKIM to install them all.

Versions Environment loading command (via Lmod)
2.4.1-GCC-13.3
kim-api/2.4.1-GCC-13.3

libGLU

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

Versions Environment loading command (via Lmod)
9.0.3-GCCcore-14.2
libGLU/9.0.3-GCCcore-14.2
9.0.3-GCCcore-13.3
libGLU/9.0.3-GCCcore-13.3
9.0.3-GCCcore-13.2
libGLU/9.0.3-GCCcore-13.2
9.0.3-GCCcore-12.3
libGLU/9.0.3-GCCcore-12.3
9.0.2-GCCcore-12.2
libGLU/9.0.2-GCCcore-12.2
9.0.2-GCCcore-11.3
libGLU/9.0.2-GCCcore-11.3

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
libGridXC/2.0

libPSML

A library to handle pseudopotentials in PSML format

Versions Environment loading command (via Lmod)
2.1.0-GCC-12.3
libPSML/2.1.0-GCC-12.3

libarchive

Multi-format archive and compression library

Versions Environment loading command (via Lmod)
3.7.7-GCCcore-14.2
libarchive/3.7.7-GCCcore-14.2
3.7.4-GCCcore-13.3
libarchive/3.7.4-GCCcore-13.3
3.7.2-GCCcore-13.2
libarchive/3.7.2-GCCcore-13.2
3.6.2-GCCcore-12.3
libarchive/3.6.2-GCCcore-12.3
3.6.1-GCCcore-12.2
libarchive/3.6.1-GCCcore-12.2
3.6.1-GCCcore-11.3
libarchive/3.6.1-GCCcore-11.3
3.5.1-GCCcore-11.2
libarchive/3.5.1-GCCcore-11.2
3.5.1-GCCcore-10.3
libarchive/3.5.1-GCCcore-10.3
3.4.3-GCCcore-10.2
libarchive/3.4.3-GCCcore-10.2

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)
2.4-GCCcore-13.3
libcerf/2.4-GCCcore-13.3
2.3-GCCcore-12.3
libcerf/2.3-GCCcore-12.3
2.3-GCCcore-12.2
libcerf/2.3-GCCcore-12.2
2.1-GCCcore-11.3
libcerf/2.1-GCCcore-11.3

libcint

libcint is an open source library for analytical Gaussian integrals.

Versions Environment loading command (via Lmod)
5.4
libcint/5.4

libdap

A C++ SDK which contains an implementation of DAP 2.0 and DAP4.0. This includes both Client- and Server-side support classes.

Versions Environment loading command (via Lmod)
3.20.11-GCCcore-12.3
libdap/3.20.11-GCCcore-12.3

libde265

libde265 is an open source implementation of the h.265 video codec

Versions Environment loading command (via Lmod)
1.0.16-GCCcore-14.2
libde265/1.0.16-GCCcore-14.2

libdeflate

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

Versions Environment loading command (via Lmod)
1.24-GCCcore-14.2
libdeflate/1.24-GCCcore-14.2
1.20-GCCcore-13.3
libdeflate/1.20-GCCcore-13.3
1.19-GCCcore-13.2
libdeflate/1.19-GCCcore-13.2
1.18-GCCcore-12.3
libdeflate/1.18-GCCcore-12.3
1.10-GCCcore-11.3
libdeflate/1.10-GCCcore-11.3

libdrm

Direct Rendering Manager runtime library.

Versions Environment loading command (via Lmod)
2.4.125-GCCcore-14.2
libdrm/2.4.125-GCCcore-14.2
2.4.122-GCCcore-13.3
libdrm/2.4.122-GCCcore-13.3
2.4.117-GCCcore-13.2
libdrm/2.4.117-GCCcore-13.2
2.4.115-GCCcore-12.3
libdrm/2.4.115-GCCcore-12.3
2.4.114-GCCcore-12.2
libdrm/2.4.114-GCCcore-12.2
2.4.110-GCCcore-11.3
libdrm/2.4.110-GCCcore-11.3

libepoxy

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

Versions Environment loading command (via Lmod)
1.5.10-GCCcore-13.3
libepoxy/1.5.10-GCCcore-13.3
1.5.10-GCCcore-12.3
libepoxy/1.5.10-GCCcore-12.3

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-14.2
libevent/2.1.12-GCCcore-14.2
2.1.12-GCCcore-13.3
libevent/2.1.12-GCCcore-13.3
2.1.12-GCCcore-13.2
libevent/2.1.12-GCCcore-13.2
2.1.12-GCCcore-12.3
libevent/2.1.12-GCCcore-12.3
2.1.12-GCCcore-12.2
libevent/2.1.12-GCCcore-12.2
2.1.12-GCCcore-11.3
libevent/2.1.12-GCCcore-11.3
2.1.12-GCCcore-11.2
libevent/2.1.12-GCCcore-11.2
2.1.12-GCCcore-10.3
libevent/2.1.12-GCCcore-10.3
2.1.12-GCCcore-10.2
libevent/2.1.12-GCCcore-10.2

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)
2.0.0-GCCcore-14.2
libfabric/2.0.0-GCCcore-14.2
1.21.0-GCCcore-13.3
libfabric/1.21.0-GCCcore-13.3
1.19.0-GCCcore-13.2
libfabric/1.19.0-GCCcore-13.2
1.18.0-GCCcore-12.3
libfabric/1.18.0-GCCcore-12.3
1.16.1-GCCcore-12.2
libfabric/1.16.1-GCCcore-12.2
1.15.1-GCCcore-11.3
libfabric/1.15.1-GCCcore-11.3
1.13.2-GCCcore-11.2
libfabric/1.13.2-GCCcore-11.2
1.12.1-GCCcore-10.3
libfabric/1.12.1-GCCcore-10.3
1.11.0-GCCcore-10.2
libfabric/1.11.0-GCCcore-10.2

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-12.3
libfdf/0.5.1-GCC-12.3

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)
3.4.5-GCCcore-14.2
libffi/3.4.5-GCCcore-14.2
3.4.5-GCCcore-13.3
libffi/3.4.5-GCCcore-13.3
3.4.4-GCCcore-13.2
libffi/3.4.4-GCCcore-13.2
3.4.4-GCCcore-12.3
libffi/3.4.4-GCCcore-12.3
3.4.4-GCCcore-12.2
libffi/3.4.4-GCCcore-12.2
3.4.4-GCCcore-11.3
libffi/3.4.4-GCCcore-11.3
3.4.2-GCCcore-11.3
libffi/3.4.2-GCCcore-11.3
3.4.2-GCCcore-11.2
libffi/3.4.2-GCCcore-11.2
3.3-GCCcore-10.3
libffi/3.3-GCCcore-10.3
3.3-GCCcore-10.2
libffi/3.3-GCCcore-10.2

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-13.3
libgd/2.3.3-GCCcore-13.3
2.3.3-GCCcore-12.3
libgd/2.3.3-GCCcore-12.3
2.3.3-GCCcore-12.2
libgd/2.3.3-GCCcore-12.2
2.3.3-GCCcore-11.3
libgd/2.3.3-GCCcore-11.3

libgeotiff

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

Versions Environment loading command (via Lmod)
1.7.1-GCCcore-11.3
libgeotiff/1.7.1-GCCcore-11.3
1.6.0-GCCcore-10.3
libgeotiff/1.6.0-GCCcore-10.3

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
libgit2/1.7.2-GCCcore-13.2

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-14.2
libglvnd/1.7.0-GCCcore-14.2
1.7.0-GCCcore-13.3
libglvnd/1.7.0-GCCcore-13.3
1.7.0-GCCcore-13.2
libglvnd/1.7.0-GCCcore-13.2
1.6.0-GCCcore-12.3
libglvnd/1.6.0-GCCcore-12.3
1.6.0-GCCcore-12.2
libglvnd/1.6.0-GCCcore-12.2
1.4.0-GCCcore-11.3
libglvnd/1.4.0-GCCcore-11.3

libheif

libheif is an HEIF and AVIF file format decoder and encoder

Versions Environment loading command (via Lmod)
1.19.8-GCCcore-14.2
libheif/1.19.8-GCCcore-14.2

libiconv

Libiconv converts from one character encoding to another through Unicode conversion

Versions Environment loading command (via Lmod)
1.18-GCCcore-14.2
libiconv/1.18-GCCcore-14.2
1.17-GCCcore-13.3
libiconv/1.17-GCCcore-13.3
1.17-GCCcore-13.2
libiconv/1.17-GCCcore-13.2
1.17-GCCcore-12.3
libiconv/1.17-GCCcore-12.3
1.17-GCCcore-12.2
libiconv/1.17-GCCcore-12.2
1.17-GCCcore-11.3
libiconv/1.17-GCCcore-11.3
1.16-GCCcore-10.3
libiconv/1.16-GCCcore-10.3

libidn2

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

Versions Environment loading command (via Lmod)
2.3.7-GCCcore-14.2
libidn2/2.3.7-GCCcore-14.2
2.3.7-GCCcore-12.3
libidn2/2.3.7-GCCcore-12.3

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)
3.1.0-GCCcore-14.2
libjpeg-turbo/3.1.0-GCCcore-14.2
3.0.1-GCCcore-13.3
libjpeg-turbo/3.0.1-GCCcore-13.3
3.0.1-GCCcore-13.2
libjpeg-turbo/3.0.1-GCCcore-13.2
2.1.5.1-GCCcore-12.3
libjpeg-turbo/2.1.5.1-GCCcore-12.3
2.1.4-GCCcore-12.2
libjpeg-turbo/2.1.4-GCCcore-12.2
2.1.3-GCCcore-11.3
libjpeg-turbo/2.1.3-GCCcore-11.3
2.0.6-GCCcore-10.3
libjpeg-turbo/2.0.6-GCCcore-10.3

libnsl

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

Versions Environment loading command (via Lmod)
2.0.1-GCCcore-13.3
libnsl/2.0.1-GCCcore-13.3
1.3.0-GCCcore-10.3
libnsl/1.3.0-GCCcore-10.3

libpciaccess

Generic PCI access library.

Versions Environment loading command (via Lmod)
0.18.1-GCCcore-14.2
libpciaccess/0.18.1-GCCcore-14.2
0.18.1-GCCcore-13.3
libpciaccess/0.18.1-GCCcore-13.3
0.17-GCCcore-13.2
libpciaccess/0.17-GCCcore-13.2
0.17-GCCcore-12.3
libpciaccess/0.17-GCCcore-12.3
0.17-GCCcore-12.2
libpciaccess/0.17-GCCcore-12.2
0.16-GCCcore-11.3
libpciaccess/0.16-GCCcore-11.3
0.16-GCCcore-11.2
libpciaccess/0.16-GCCcore-11.2
0.16-GCCcore-10.3
libpciaccess/0.16-GCCcore-10.3

libpng

libpng is the official PNG reference library

Versions Environment loading command (via Lmod)
1.6.48-GCCcore-14.2
libpng/1.6.48-GCCcore-14.2
1.6.43-GCCcore-13.3
libpng/1.6.43-GCCcore-13.3
1.6.40-GCCcore-13.2
libpng/1.6.40-GCCcore-13.2
1.6.39-GCCcore-12.3
libpng/1.6.39-GCCcore-12.3
1.6.38-GCCcore-12.2
libpng/1.6.38-GCCcore-12.2
1.6.37-GCCcore-11.3
libpng/1.6.37-GCCcore-11.3
1.6.37-GCCcore-10.3
libpng/1.6.37-GCCcore-10.3
1.6.37-GCCcore-9.3
libpng/1.6.37-GCCcore-9.3

libpsl

C library for the Public Suffix List

Versions Environment loading command (via Lmod)
0.21.5-GCCcore-14.2
libpsl/0.21.5-GCCcore-14.2

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-14.2
libreadline/8.2-GCCcore-14.2
8.2-GCCcore-13.3
libreadline/8.2-GCCcore-13.3
8.2-GCCcore-13.2
libreadline/8.2-GCCcore-13.2
8.2-GCCcore-12.3
libreadline/8.2-GCCcore-12.3
8.2-GCCcore-12.2
libreadline/8.2-GCCcore-12.2
8.2-GCCcore-11.3
libreadline/8.2-GCCcore-11.3
8.1.2-GCCcore-11.3
libreadline/8.1.2-GCCcore-11.3
8.1-GCCcore-11.2
libreadline/8.1-GCCcore-11.2
8.1-GCCcore-10.3
libreadline/8.1-GCCcore-10.3
8.0-GCCcore-10.2
libreadline/8.0-GCCcore-10.2

libtasn1

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

Versions Environment loading command (via Lmod)
4.19.0-GCCcore-12.3
libtasn1/4.19.0-GCCcore-12.3

libtirpc

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

Versions Environment loading command (via Lmod)
1.3.5-GCCcore-13.3
libtirpc/1.3.5-GCCcore-13.3
1.3.3-GCCcore-12.3
libtirpc/1.3.3-GCCcore-12.3
1.3.2-GCCcore-11.3
libtirpc/1.3.2-GCCcore-11.3
1.3.2-GCCcore-10.3
libtirpc/1.3.2-GCCcore-10.3

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)
2.5.4-GCCcore-14.2
libtool/2.5.4-GCCcore-14.2
2.4.7-GCCcore-13.3
libtool/2.4.7-GCCcore-13.3
2.4.7-GCCcore-13.2
libtool/2.4.7-GCCcore-13.2
2.4.7-GCCcore-12.3
libtool/2.4.7-GCCcore-12.3
2.4.7-GCCcore-12.2
libtool/2.4.7-GCCcore-12.2
2.4.7-GCCcore-11.3
libtool/2.4.7-GCCcore-11.3
2.4.6-GCCcore-11.2
libtool/2.4.6-GCCcore-11.2
2.4.6-GCCcore-10.3
libtool/2.4.6-GCCcore-10.3
2.4.6-GCCcore-10.2
libtool/2.4.6-GCCcore-10.2
2.4.6-GCCcore-9.3
libtool/2.4.6-GCCcore-9.3
2.4
libtool/2.4

libunistring

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

Versions Environment loading command (via Lmod)
1.3-GCCcore-14.2
libunistring/1.3-GCCcore-14.2
1.1-GCCcore-12.3
libunistring/1.1-GCCcore-12.3

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)
1.8.1-GCCcore-14.2
libunwind/1.8.1-GCCcore-14.2
1.8.1-GCCcore-13.3
libunwind/1.8.1-GCCcore-13.3
1.6.2-GCCcore-13.2
libunwind/1.6.2-GCCcore-13.2
1.6.2-GCCcore-12.3
libunwind/1.6.2-GCCcore-12.3
1.6.2-GCCcore-12.2
libunwind/1.6.2-GCCcore-12.2
1.6.2-GCCcore-11.3
libunwind/1.6.2-GCCcore-11.3

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-13.3
libvori/220621-GCCcore-13.3
220621-GCCcore-12.3
libvori/220621-GCCcore-12.3

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)
1.5.0-GCCcore-14.2
libwebp/1.5.0-GCCcore-14.2
1.4.0-GCCcore-13.3
libwebp/1.4.0-GCCcore-13.3
1.3.2-GCCcore-13.2
libwebp/1.3.2-GCCcore-13.2

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)
7.0.0-GCC-14.2
libxc/7.0.0-GCC-14.2
6.2.2-intel-compilers-2023.1
libxc/6.2.2-intel-compilers-2023.1
6.2.2-GCC-14.2
libxc/6.2.2-GCC-14.2
6.2.2-GCC-13.3
libxc/6.2.2-GCC-13.3
6.2.2-GCC-12.3
libxc/6.2.2-GCC-12.3
5.2.3-intel-compilers-2022.1
libxc/5.2.3-intel-compilers-2022.1
5.2.3-GCC-11.3
libxc/5.2.3-GCC-11.3
5.1.5-GCC-10.3
libxc/5.1.5-GCC-10.3

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)
2.13.4-GCCcore-14.2
libxml2/2.13.4-GCCcore-14.2
2.12.7-GCCcore-13.3
libxml2/2.12.7-GCCcore-13.3
2.11.5-GCCcore-13.2
libxml2/2.11.5-GCCcore-13.2
2.11.4-GCCcore-12.3
libxml2/2.11.4-GCCcore-12.3
2.10.3-GCCcore-12.2
libxml2/2.10.3-GCCcore-12.2
2.9.13-GCCcore-11.3
libxml2/2.9.13-GCCcore-11.3
2.9.10-GCCcore-11.2
libxml2/2.9.10-GCCcore-11.2
2.9.10-GCCcore-10.3
libxml2/2.9.10-GCCcore-10.3
2.9.10-GCCcore-10.2
libxml2/2.9.10-GCCcore-10.2

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-13.3
libxsmm/1.17-GCC-13.3
1.17-GCC-12.3
libxsmm/1.17-GCC-12.3

libyaml

LibYAML is a YAML parser and emitter written in C.

Versions Environment loading command (via Lmod)
0.2.5-GCCcore-14.2
libyaml/0.2.5-GCCcore-14.2
0.2.5-GCCcore-13.3
libyaml/0.2.5-GCCcore-13.3
0.2.5-GCCcore-12.3
libyaml/0.2.5-GCCcore-12.3

linaro-forge

No description available

Versions Environment loading command (via Lmod)
24.1
linaro-forge/24.1

lit

lit is a portable tool for executing LLVM and Clang style test suites, summarizing their results, and providing indication of failures.

Versions Environment loading command (via Lmod)
18.1.8-GCCcore-14.2
lit/18.1.8-GCCcore-14.2

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)
1.10.0-GCCcore-14.2
lz4/1.10.0-GCCcore-14.2
1.9.4-GCCcore-13.3
lz4/1.9.4-GCCcore-13.3
1.9.4-GCCcore-13.2
lz4/1.9.4-GCCcore-13.2
1.9.4-GCCcore-12.3
lz4/1.9.4-GCCcore-12.3
1.9.4-GCCcore-12.2
lz4/1.9.4-GCCcore-12.2
1.9.3-GCCcore-11.3
lz4/1.9.3-GCCcore-11.3
1.9.3-GCCcore-10.3
lz4/1.9.3-GCCcore-10.3

maeparser

maeparser is a parser for Schrodinger Maestro files.

Versions Environment loading command (via Lmod)
1.3
maeparser/1.3

make

GNU version of make utility

Versions Environment loading command (via Lmod)
4.4.1-GCCcore-14.2
make/4.4.1-GCCcore-14.2
4.4.1-GCCcore-13.3
make/4.4.1-GCCcore-13.3
4.4.1-GCCcore-13.2
make/4.4.1-GCCcore-13.2
4.4.1-GCCcore-12.3
make/4.4.1-GCCcore-12.3
4.3-GCCcore-12.2
make/4.3-GCCcore-12.2
4.3-GCCcore-11.3
make/4.3-GCCcore-11.3
4.3-GCCcore-10.3
make/4.3-GCCcore-10.3
4.3-GCCcore-10.2
make/4.3-GCCcore-10.2

makedepend

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

Versions Environment loading command (via Lmod)
1.0.9-GCCcore-13.3
makedepend/1.0.9-GCCcore-13.3
1.0.6-GCCcore-10.3
makedepend/1.0.6-GCCcore-10.3

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-13.3
makeinfo/7.1-GCCcore-13.3
6.7-GCCcore-10.3
makeinfo/6.7-GCCcore-10.3
6.7-GCCcore-10.2
makeinfo/6.7-GCCcore-10.2

matlab

No description available

Versions Environment loading command (via Lmod)
R2025a
matlab/R2025a
R2024b
matlab/R2024b
R2024a
matlab/R2024a

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)
3.10
matplotlib/3.10

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)
1.8.3-GCCcore-14.2
maturin/1.8.3-GCCcore-14.2
1.6.0-GCCcore-13.3
maturin/1.6.0-GCCcore-13.3
1.4.0-GCCcore-12.3.0-Rust-1.75
maturin/1.4.0-GCCcore-12.3.0-Rust-1.75

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-12.3
mctc-lib/0.3.1-GCC-12.3

meson-python

Python build backend (PEP 517) for Meson projects

Versions Environment loading command (via Lmod)
0.18.0-GCCcore-14.2
meson-python/0.18.0-GCCcore-14.2
0.16.0-GCCcore-13.3
meson-python/0.16.0-GCCcore-13.3
0.15.0-GCCcore-13.2
meson-python/0.15.0-GCCcore-13.2
0.13.2-GCCcore-12.3
meson-python/0.13.2-GCCcore-12.3

molpro

No description available

Versions Environment loading command (via Lmod)
2025.2
molpro/2025.2

motif

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

Versions Environment loading command (via Lmod)
2.3.8-GCCcore-13.3
motif/2.3.8-GCCcore-13.3

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)
4.1
mpi4py/4.1
3.1
mpi4py/3.1

mstore

Molecular structure store for testing

Versions Environment loading command (via Lmod)
0.3.0-GCC-12.3
mstore/0.3.0-GCC-12.3

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)
6.5-GCCcore-14.2
ncurses/6.5-GCCcore-14.2
6.5-GCCcore-13.3
ncurses/6.5-GCCcore-13.3
6.4-GCCcore-13.2
ncurses/6.4-GCCcore-13.2
6.4-GCCcore-12.3
ncurses/6.4-GCCcore-12.3
6.3-GCCcore-12.2
ncurses/6.3-GCCcore-12.2
6.3-GCCcore-11.3
ncurses/6.3-GCCcore-11.3
6.2-GCCcore-11.2
ncurses/6.2-GCCcore-11.2
6.2-GCCcore-10.3
ncurses/6.2-GCCcore-10.3
6.2-GCCcore-10.2
ncurses/6.2-GCCcore-10.2
6.2-GCCcore-9.3
ncurses/6.2-GCCcore-9.3
6
ncurses/6

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
netCDF/4.9
4.8
netCDF/4.8

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-14.2
netCDF-Fortran/4.6.1-GCC-14.2
4.6
netCDF-Fortran/4.6
4.5
netCDF-Fortran/4.5

nettle

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

Versions Environment loading command (via Lmod)
3.9.1-GCCcore-12.3
nettle/3.9.1-GCCcore-12.3

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)
3.4
networkx/3.4
3.2
networkx/3.2
3
networkx/3
2.8
networkx/2.8
2.5
networkx/2.5

nlohmann_json

JSON for Modern C++

Versions Environment loading command (via Lmod)
3.10.5-GCCcore-11.3
nlohmann_json/3.10.5-GCCcore-11.3

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)
22.16.0-GCCcore-14.2
nodejs/22.16.0-GCCcore-14.2
20.13.1-GCCcore-13.3
nodejs/20.13.1-GCCcore-13.3
20.9.0-GCCcore-13.2
nodejs/20.9.0-GCCcore-13.2
18.17.1-GCCcore-12.3
nodejs/18.17.1-GCCcore-12.3
18.12.1-GCCcore-12.2
nodejs/18.12.1-GCCcore-12.2
16.15.1-GCCcore-11.3
nodejs/16.15.1-GCCcore-11.3

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)
2.0.19-GCCcore-14.2
numactl/2.0.19-GCCcore-14.2
2.0.18-GCCcore-13.3
numactl/2.0.18-GCCcore-13.3
2.0.16-GCCcore-13.2
numactl/2.0.16-GCCcore-13.2
2.0.16-GCCcore-12.3
numactl/2.0.16-GCCcore-12.3
2.0.16-GCCcore-12.2
numactl/2.0.16-GCCcore-12.2
2.0.14-GCCcore-11.3
numactl/2.0.14-GCCcore-11.3
2.0.14-GCCcore-11.2
numactl/2.0.14-GCCcore-11.2
2.0.14-GCCcore-10.3
numactl/2.0.14-GCCcore-10.3

p11-kit

Provides a way to load and enumerate PKCS#11 modules. Provides a standard configuration setup for installing PKCS#11 modules in such a way that they're discoverable. Also solves problems with coordinating the use of PKCS#11 by different components or libraries living in the same process.

Versions Environment loading command (via Lmod)
0.25.3-GCCcore-12.3
p11-kit/0.25.3-GCCcore-12.3

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-14.2
patchelf/0.18.0-GCCcore-14.2
0.18.0-GCCcore-13.3
patchelf/0.18.0-GCCcore-13.3
0.18.0-GCCcore-13.2
patchelf/0.18.0-GCCcore-13.2
0.18.0-GCCcore-12.3
patchelf/0.18.0-GCCcore-12.3

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)
0.46.2-GCCcore-14.2
pixman/0.46.2-GCCcore-14.2
0.43.4-GCCcore-13.3
pixman/0.43.4-GCCcore-13.3
0.42.2-GCCcore-13.2
pixman/0.42.2-GCCcore-13.2
0.42.2-GCCcore-12.3
pixman/0.42.2-GCCcore-12.3
0.42.2-GCCcore-12.2
pixman/0.42.2-GCCcore-12.2
0.40.0-GCCcore-11.3
pixman/0.40.0-GCCcore-11.3

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-11.3
pkg-config/0.29.2-GCCcore-11.3
0.29.2-GCCcore-11.2
pkg-config/0.29.2-GCCcore-11.2
0.29.2-GCCcore-10.3
pkg-config/0.29.2-GCCcore-10.3
0.29.2-GCCcore-10.2
pkg-config/0.29.2-GCCcore-10.2

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)
2.3.0-GCCcore-14.2
pkgconf/2.3.0-GCCcore-14.2
2.2.0-GCCcore-13.3
pkgconf/2.2.0-GCCcore-13.3
2.0.3-GCCcore-13.2
pkgconf/2.0.3-GCCcore-13.2
1.9.5-GCCcore-12.3
pkgconf/1.9.5-GCCcore-12.3
1.9.3-GCCcore-12.2
pkgconf/1.9.3-GCCcore-12.2
1.9.3-GCCcore-11.3
pkgconf/1.9.3-GCCcore-11.3
1.8.0-GCCcore-11.3
pkgconf/1.8.0-GCCcore-11.3
1.8
pkgconf/1.8

pkgconfig

pkgconfig is a Python module to interface with the pkg-config command line tool

Versions Environment loading command (via Lmod)
1.5.5-GCCcore-12.3
pkgconfig/1.5.5-GCCcore-12.3
1.5.5-GCCcore-12.2
pkgconfig/1.5.5-GCCcore-12.2

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)
2.1.2-GCCcore-14.2
poetry/2.1.2-GCCcore-14.2
1.8.3-GCCcore-13.3
poetry/1.8.3-GCCcore-13.3
1.7.1-GCCcore-12.3
poetry/1.7.1-GCCcore-12.3
1.6.1-GCCcore-13.2
poetry/1.6.1-GCCcore-13.2
1.5.1-GCCcore-12.3
poetry/1.5.1-GCCcore-12.3

psutil

A cross-platform process and system utilities module for Python

Versions Environment loading command (via Lmod)
7.0.0-GCCcore-14.2
psutil/7.0.0-GCCcore-14.2

py-cpuinfo

py-cpuinfo gets CPU info with pure Python.

Versions Environment loading command (via Lmod)
9.0.0-GCCcore-13.3
py-cpuinfo/9.0.0-GCCcore-13.3
9.0.0-GCCcore-12.3
py-cpuinfo/9.0.0-GCCcore-12.3

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)
2.13.6-GCC-14.2
pybind11/2.13.6-GCC-14.2
2.12.0-GCC-13.3
pybind11/2.12.0-GCC-13.3
2.11.1-GCCcore-13.2
pybind11/2.11.1-GCCcore-13.2
2.11.1-GCCcore-12.3
pybind11/2.11.1-GCCcore-12.3
2.10.3-GCCcore-12.2
pybind11/2.10.3-GCCcore-12.2
2.9.2-GCCcore-11.3
pybind11/2.9.2-GCCcore-11.3
2.6.2-GCCcore-10.3
pybind11/2.6.2-GCCcore-10.3

pydantic

Data validation and settings management using Python type hinting.

Versions Environment loading command (via Lmod)
2.9.1-GCCcore-13.3
pydantic/2.9.1-GCCcore-13.3
2.5.3-GCCcore-12.3
pydantic/2.5.3-GCCcore-12.3

pytest

The pytest framework makes it easy to write small, readable tests, and can scale to support complex functional testing for applications and libraries.

Versions Environment loading command (via Lmod)
8.3.3-GCCcore-13.3
pytest/8.3.3-GCCcore-13.3
7.4.2-GCCcore-12.3
pytest/7.4.2-GCCcore-12.3

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)
4.2-GCCcore-14.2
re2c/4.2-GCCcore-14.2
3.1-GCCcore-13.3
re2c/3.1-GCCcore-13.3
3.1-GCCcore-13.2
re2c/3.1-GCCcore-13.2
3.1-GCCcore-12.3
re2c/3.1-GCCcore-12.3
3.0-GCCcore-12.2
re2c/3.0-GCCcore-12.2
2.2-GCCcore-11.3
re2c/2.2-GCCcore-11.3

ruamel.yaml

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

Versions Environment loading command (via Lmod)
0.17.32-GCCcore-12.3
ruamel.yaml/0.17.32-GCCcore-12.3

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)
0.18.1-GCCcore-14.2
scikit-build/0.18.1-GCCcore-14.2
0.17.6-GCCcore-13.3
scikit-build/0.17.6-GCCcore-13.3
0.17.6-GCCcore-13.2
scikit-build/0.17.6-GCCcore-13.2
0.17.6-GCCcore-12.3
scikit-build/0.17.6-GCCcore-12.3
0.15.0-GCCcore-11.3
scikit-build/0.15.0-GCCcore-11.3
0.11.1-GCCcore-10.3
scikit-build/0.11.1-GCCcore-10.3

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)
0.11.1-GCCcore-14.2
scikit-build-core/0.11.1-GCCcore-14.2
0.9.3-GCCcore-13.2
scikit-build-core/0.9.3-GCCcore-13.2
0.5.0-GCCcore-12.3
scikit-build-core/0.5.0-GCCcore-12.3

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)
1.11.0-GCCcore-14.2
setuptools-rust/1.11.0-GCCcore-14.2
1.9.0-GCCcore-13.3
setuptools-rust/1.9.0-GCCcore-13.3
1.8.0-GCCcore-13.2
setuptools-rust/1.8.0-GCCcore-13.2
1.6.0-GCCcore-12.3
setuptools-rust/1.6.0-GCCcore-12.3

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)
1.2.2-GCCcore-14.2
snappy/1.2.2-GCCcore-14.2
1.2.1-GCCcore-13.3
snappy/1.2.1-GCCcore-13.3
1.1.10-GCCcore-13.2
snappy/1.1.10-GCCcore-13.2
1.1.10-GCCcore-12.3
snappy/1.1.10-GCCcore-12.3
1.1.9-GCCcore-12.2
snappy/1.1.9-GCCcore-12.2
1.1.9-GCCcore-11.3
snappy/1.1.9-GCCcore-11.3

spglib-python

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

Versions Environment loading command (via Lmod)
2.1
spglib-python/2.1
2.0
spglib-python/2.0

spin

Developer tool for scientific Python libraries

Versions Environment loading command (via Lmod)
0.14-GCCcore-14.2
spin/0.14-GCCcore-14.2

st

No description available

Versions Environment loading command (via Lmod)
0.9
st/0.9

strace

strace is a diagnostic, debugging and instructional userspace utility for Linux. It is used to monitor and tamper with interactions between processes and the Linux kernel, which include system calls, signal deliveries, and changes of process state.

Versions Environment loading command (via Lmod)
6.6-GCCcore-12.2
strace/6.6-GCCcore-12.2

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-13.3
tbb/2021.13.0-GCCcore-13.3

tblis

TBLIS is a library and framework for performing tensor operations, especially tensor contraction, using native algorithms.

Versions Environment loading command (via Lmod)
20230422-foss-2023a
tblis/20230422-foss-2023a

tcsh

Tcsh is an enhanced, but completely compatible version of the Berkeley UNIX C shell (csh). It is a command language interpreter usable both as an interactive login shell and a shell script command processor. It includes a command-line editor, programmable word completion, spelling correction, a history mechanism, job control and a C-like syntax.

Versions Environment loading command (via Lmod)
6.24.10-GCCcore-12.3
tcsh/6.24.10-GCCcore-12.3

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-12.3
test-drive/0.5.0-GCC-12.3

turbomole

No description available

Versions Environment loading command (via Lmod)
7
turbomole/7

typing-extensions

Typing Extensions - Backported and Experimental Type Hints for Python

Versions Environment loading command (via Lmod)
4.11.0-GCCcore-13.3
typing-extensions/4.11.0-GCCcore-13.3
4.9.0-GCCcore-12.3
typing-extensions/4.9.0-GCCcore-12.3

util-linux

Set of Linux utilities

Versions Environment loading command (via Lmod)
2.41-GCCcore-14.2
util-linux/2.41-GCCcore-14.2
2.40-GCCcore-13.3
util-linux/2.40-GCCcore-13.3
2.39-GCCcore-13.2
util-linux/2.39-GCCcore-13.2
2.39-GCCcore-12.3
util-linux/2.39-GCCcore-12.3
2.38.1-GCCcore-12.2
util-linux/2.38.1-GCCcore-12.2
2.38-GCCcore-11.3
util-linux/2.38-GCCcore-11.3

virtualenv

A tool for creating isolated virtual python environments.

Versions Environment loading command (via Lmod)
20.29.2-GCCcore-14.2
virtualenv/20.29.2-GCCcore-14.2
20.26.2-GCCcore-13.3
virtualenv/20.26.2-GCCcore-13.3
20.24.6-GCCcore-13.2
virtualenv/20.24.6-GCCcore-13.2
20.23.1-GCCcore-12.3
virtualenv/20.23.1-GCCcore-12.3

wannier90

No description available

Versions Environment loading command (via Lmod)
3.1.0-GCC-13.3
wannier90/3.1.0-GCC-13.3

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)
20250619-GCCcore-14.2
x264/20250619-GCCcore-14.2
20240513-GCCcore-13.3
x264/20240513-GCCcore-13.3
20231019-GCCcore-13.2
x264/20231019-GCCcore-13.2
20230226-GCCcore-12.3
x264/20230226-GCCcore-12.3

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)
4.1-GCCcore-14.2
x265/4.1-GCCcore-14.2
3.6-GCCcore-13.3
x265/3.6-GCCcore-13.3
3.5-GCCcore-13.2
x265/3.5-GCCcore-13.2
3.5-GCCcore-12.3
x265/3.5-GCCcore-12.3

xmlf90

A fast XML parser and generator in Fortran

Versions Environment loading command (via Lmod)
1.6.3-GCC-12.3
xmlf90/1.6.3-GCC-12.3

xorg-macros

X.org macros utilities.

Versions Environment loading command (via Lmod)
1.20.2-GCCcore-14.2
xorg-macros/1.20.2-GCCcore-14.2
1.20.1-GCCcore-13.3
xorg-macros/1.20.1-GCCcore-13.3
1.20.0-GCCcore-13.2
xorg-macros/1.20.0-GCCcore-13.2
1.20.0-GCCcore-12.3
xorg-macros/1.20.0-GCCcore-12.3
1.19.3-GCCcore-12.2
xorg-macros/1.19.3-GCCcore-12.2
1.19.3-GCCcore-11.3
xorg-macros/1.19.3-GCCcore-11.3
1.19.3-GCCcore-11.2
xorg-macros/1.19.3-GCCcore-11.2
1.19.3-GCCcore-10.3
xorg-macros/1.19.3-GCCcore-10.3

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)
1.2.8-GCCcore-13.3
xprop/1.2.8-GCCcore-13.3

xproto

X protocol and ancillary headers

Versions Environment loading command (via Lmod)
7.0.31-GCCcore-13.3
xproto/7.0.31-GCCcore-13.3
7.0.31-GCCcore-10.3
xproto/7.0.31-GCCcore-10.3

xtb

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

Versions Environment loading command (via Lmod)
6.7
xtb/6.7
6.6
xtb/6.6

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)
9.1.1275-GCCcore-13.3
xxd/9.1.1275-GCCcore-13.3
9.1.0785-GCCcore-13.3
xxd/9.1.0785-GCCcore-13.3
9.0.2112-GCCcore-12.3
xxd/9.0.2112-GCCcore-12.3

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)
1.3.1-GCCcore-14.2
zlib/1.3.1-GCCcore-14.2
1.3.1-GCCcore-13.3
zlib/1.3.1-GCCcore-13.3
1.3
zlib/1.3
1.2.13-GCCcore-13.2
zlib/1.2.13-GCCcore-13.2
1.2.13-GCCcore-12.3
zlib/1.2.13-GCCcore-12.3
1.2.12-GCCcore-12.2
zlib/1.2.12-GCCcore-12.2
1.2.12-GCCcore-11.3
zlib/1.2.12-GCCcore-11.3
1.2.11-GCCcore-11.2
zlib/1.2.11-GCCcore-11.2
1.2.11-GCCcore-10.3
zlib/1.2.11-GCCcore-10.3
1.2.11-GCCcore-10.2
zlib/1.2.11-GCCcore-10.2
1.2.11-GCCcore-9.3
zlib/1.2.11-GCCcore-9.3
1.2
zlib/1.2

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)
1.5.6-GCCcore-14.2
zstd/1.5.6-GCCcore-14.2
1.5.6-GCCcore-13.3
zstd/1.5.6-GCCcore-13.3
1.5.5-GCCcore-13.2
zstd/1.5.5-GCCcore-13.2
1.5.5-GCCcore-12.3
zstd/1.5.5-GCCcore-12.3
1.5.2-GCCcore-12.2
zstd/1.5.2-GCCcore-12.2
1.5.2-GCCcore-11.3
zstd/1.5.2-GCCcore-11.3
1.4.9-GCCcore-10.3
zstd/1.4.9-GCCcore-10.3

Last update: November 13, 2025