Lem GPU
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) |
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| 10.2 |
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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 |
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Alphafold
No description available
| Versions | Environment loading command (via Lmod) |
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| 3.0 |
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| 2.3 |
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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) |
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| 24-GCC-14.2 |
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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) |
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| 25-GCC-14.2 |
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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 |
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| 2.72-GCCcore-13.3 |
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| 2.71-GCCcore-13.2 |
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| 2.71-GCCcore-12.3 |
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| 2.71-GCCcore-12.2 |
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| 2.71-GCCcore-11.3 |
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| 2.71-GCCcore-11.2 |
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| 2.69-GCCcore-10.2 |
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| 2 |
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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 |
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Automake
Automake: GNU Standards-compliant Makefile generator
| Versions | Environment loading command (via Lmod) |
|---|---|
| 1.17-GCCcore-14.2 |
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| 1.16.5-GCCcore-13.3 |
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| 1.16.5-GCCcore-13.2 |
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| 1.16.5-GCCcore-12.3 |
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| 1.16.5-GCCcore-12.2 |
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| 1.16.5-GCCcore-11.3 |
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| 1.16.4-GCCcore-11.2 |
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| 1.16.2-GCCcore-10.2 |
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| 1.16 |
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Autotools
This bundle collect the standard GNU build tools: Autoconf, Automake and libtool
| Versions | Environment loading command (via Lmod) |
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| 20240712-GCCcore-14.2 |
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| 20231222-GCCcore-13.3 |
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| 20220317-GCCcore-13.2 |
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| 20220317-GCCcore-12.3 |
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| 20220317-GCCcore-12.2 |
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| 20220317-GCCcore-11.3 |
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| 20220317 |
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| 20210726-GCCcore-11.2 |
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| 20200321-GCCcore-10.2 |
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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 |
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| 1.0-GCC-13.3 |
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| 0.9.0-GCC-13.2 |
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| 0.9.0-GCC-12.3 |
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| 0.9.0-GCC-11.3 |
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| 0.8.1-GCC-11.2 |
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Bazel
Bazel is a build tool that builds code quickly and reliably. It is used to build the majority of Google's software.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 6.3.1-GCCcore-12.3 |
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| 6.1.0-GCCcore-12.3 |
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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 |
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| 3.8.2-GCCcore-13.3 |
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| 3.8.2-GCCcore-13.2 |
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| 3.8.2-GCCcore-12.3 |
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| 3.8.2-GCCcore-12.2 |
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| 3.8.2-GCCcore-11.3 |
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| 3.8 |
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| 3.7.6-GCCcore-11.2 |
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| 3.7.6-GCCcore-10.3 |
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| 3.7.1-GCCcore-10.2 |
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| 3.3 |
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BoltzTraP2
No description available
| Versions | Environment loading command (via Lmod) |
|---|---|
| Python-3.12.3-GCCcore-13.3 |
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Boost
Boost provides free peer-reviewed portable C++ source libraries.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 1.82.0-GCC-12.3 |
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| 1.79.0-GCC-11.3 |
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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) |
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| 1.1.0-GCCcore-13.3 |
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| 1.0.9-GCCcore-12.3 |
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| 1.0.9-GCCcore-11.3 |
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CASTEP
CASTEP is a leading code for calculating the properties of materials from first principles. Using density functional theory, it can simulate a wide range of properties of materials proprieties including energetics, structure at the atomic level, vibrational properties, electronic response properties etc. In particular it has a wide range of spectroscopic features that link directly to experiment, such as infra-red and Raman spectroscopies, NMR, and core level spectra.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 24.1-GCC-14.2 |
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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 |
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| 3.29.3-GCCcore-13.3 |
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| 3.27.6-GCCcore-13.2 |
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| 3.26.3-GCCcore-12.3 |
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| 3.24.3-GCCcore-11.3 |
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| 3.23.1-GCCcore-11.3 |
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| 3.22.1-GCCcore-11.2 |
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| 3.21.1-GCCcore-11.2 |
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| 3.20.1-GCCcore-10.2 |
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| 3.18.4-GCCcore-10.2 |
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CP2K
CP2K is a freely available (GPL) program, written in Fortran 95, to perform atomistic and molecular simulations of solid state, liquid, molecular and biological systems. It provides a general framework for different methods such as e.g. density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW), and classical pair and many-body potentials.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 2025.1-GCC-14.2 |
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| 2023 |
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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) |
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| 4.3-GCC-14.2 |
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| 4 |
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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) |
|---|---|
| 12.8 |
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| 12.6 |
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| 12.4 |
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| 12.3 |
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| 12.2 |
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| 12.1 |
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| 12 |
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| 11.8 |
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| 11.7 |
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| 11.3 |
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| 11.1.1-GCC-10.2 |
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CUDAcore
CUDA (formerly Compute Unified Device Architecture) is a parallel computing platform and programming model created by NVIDIA and implemented by the graphics processing units (GPUs) that they produce. CUDA gives developers access to the virtual instruction set and memory of the parallel computational elements in CUDA GPUs.
| Versions | Environment loading command (via Lmod) |
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| 11.1 |
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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) |
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| 2.13.9-GCCcore-13.2 |
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| 2.13.9-GCCcore-12.3 |
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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) |
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| 0.15.2-GCCcore-10.2 |
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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) |
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| 3.0.8-GCCcore-12.3 |
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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 |
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| 18.1.40-GCCcore-11.3 |
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| 18.1.40-GCCcore-11.2 |
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| 18.1.40-GCCcore-10.2 |
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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) |
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| 2020-GCC-14.2 |
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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) |
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| 1.14.0-GCCcore-14.2 |
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| 1.11.0-GCCcore-13.3 |
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| 1.9.7-GCCcore-12.3 |
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| 1.9.4-GCCcore-11.3 |
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ELPA
Eigenvalue SoLvers for Petaflop-Applications.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 2024.05 |
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ELSI
No description available
| Versions | Environment loading command (via Lmod) |
|---|---|
| 2.9.1-NVHPC-25.3-CUDA-12 |
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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 |
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| 5.0 |
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| 4.9 |
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Eigen
Eigen is a C++ template library for linear algebra: matrices, vectors, numerical solvers, and related algorithms.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 3.4.0-GCCcore-13.2 |
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| 3.4.0-GCCcore-12.3 |
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| 3.4.0-GCCcore-11.3 |
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| 3.3.9-GCCcore-11.2 |
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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-NVHPC-25.3-CUDA-12.8 |
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| 3.3.10-NVHPC-22.7-CUDA-11.7 |
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| 3.3.10-GCC-14.2 |
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| 3.3.10-GCC-13.2 |
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| 3.3.10-GCC-12.3 |
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| 3.3.10-GCC-11.3 |
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| 3.3 |
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FFTW.MPI
FFTW is a C subroutine library for computing the discrete Fourier transform (DFT) in one or more dimensions, of arbitrary input size, and of both real and complex data.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 3.3.10-nvompi-2022 |
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| 3.3 |
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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 |
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| 3.4.4-GCC-13.3 |
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| 3.3.1-GCC-13.2 |
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| 3.3.1-GCC-12.3 |
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| 3.2.0-NVHPC-22.7-CUDA-11.7 |
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| 3.2.0-GCC-11.3 |
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FriBidi
The Free Implementation of the Unicode Bidirectional Algorithm.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 1.0.15-GCCcore-13.3 |
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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 |
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| 13.3 |
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| 13.2 |
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| 12.3 |
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| 11.3 |
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| 11.2 |
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| 10.3 |
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| 10.2 |
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GCC-kdm
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 |
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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) |
|---|---|
| 14.2 |
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| 13.3 |
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| 13.2 |
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| 12.3 |
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| 12.2 |
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| 11.3 |
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| 11.2 |
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| 10.3 |
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| 10.2 |
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GDRCopy
A low-latency GPU memory copy library based on NVIDIA GPUDirect RDMA technology.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 2.4.4-GCCcore-14.2 |
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| 2.4.1-GCCcore-13.3 |
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| 2.4-GCCcore-13.2 |
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| 2.3.1-GCCcore-12.3 |
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| 2.3-GCCcore-11.3 |
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| 2.1-GCCcore-10.2.0-CUDA-11.1 |
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GLib
GLib is one of the base libraries of the GTK+ project
| Versions | Environment loading command (via Lmod) |
|---|---|
| 2.85.1-GCCcore-14.2 |
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| 2.80.4-GCCcore-13.3 |
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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 |
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| 6.2.1-GCCcore-12.3 |
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| 6.2.1-GCCcore-12.2 |
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| 6.2.1-GCCcore-11.3 |
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| 6.2.1-GCCcore-11.2 |
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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) |
|---|---|
| 1.80.1-GCCcore-13.3 |
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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) |
|---|---|
| 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-14.2 |
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| 2.7-GCC-12.3 |
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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 |
|
Go
Go is an open source programming language that makes it easy to build simple, reliable, and efficient software.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 1.22 |
|
HDF5
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) |
|---|---|
| 1.14.6-NVHPC-25 |
|
| 1.14.5-GCC-14.2 |
|
| 1.14 |
|
| 1.12 |
|
HarfBuzz
HarfBuzz is an OpenType text shaping engine.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 9.0.0-GCCcore-13.3 |
|
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) |
|---|---|
| 75.1-GCCcore-13.3 |
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| 73.2-GCCcore-12.3 |
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| 71.1-GCCcore-11.3 |
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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 |
|
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) |
|---|---|
| 4.2.4-GCCcore-13.3 |
|
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 |
|
| 11.0 |
|
LAPACK
LAPACK is written in Fortran90 and provides routines for solving systems of simultaneous linear equations, least-squares solutions of linear systems of equations, eigenvalue problems, and singular value problems.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 3.12.1-GCC-14.2 |
|
| 3.12.0-GCC-14.2 |
|
LIBXC
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) |
|---|---|
| 7.0.0-GCC-14.2 |
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| 7.0.0-GCC-13.3 |
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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) |
|---|---|
| 18.1.8-GCCcore-13.3 |
|
LibTIFF
tiff: Library and tools for reading and writing TIFF data files
| Versions | Environment loading command (via Lmod) |
|---|---|
| 4.6.0-GCCcore-14.2 |
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| 4.6.0-GCCcore-13.3 |
|
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) |
|---|---|
| 2.7.2-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) |
|---|---|
| 2.16-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-14.2 |
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| 5.4.7-GCCcore-13.3 |
|
| 5.4.6-GCCcore-12.3 |
|
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 |
|
| 1.4.19-GCCcore-13.3 |
|
| 1.4.19-GCCcore-13.2 |
|
| 1.4.19-GCCcore-12.3 |
|
| 1.4.19-GCCcore-12.2 |
|
| 1.4.19-GCCcore-11.3 |
|
| 1.4.19-GCCcore-11.2 |
|
| 1.4.18-GCCcore-10.3 |
|
| 1.4.18-GCCcore-10.2 |
|
| 1.4 |
|
MPFR
The MPFR library is a C library for multiple-precision floating-point computations with correct rounding.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 4.2.0-GCCcore-12.2 |
|
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 |
|
Mako
A super-fast templating language that borrows the best ideas from the existing templating languages
| Versions | Environment loading command (via Lmod) |
|---|---|
| 1.3.5-GCCcore-13.3 |
|
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 |
|
Mesa
Mesa is an open-source implementation of the OpenGL specification - a system for rendering interactive 3D graphics.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 24.1.3-GCCcore-13.3 |
|
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 |
|
| 1.4.0-GCCcore-13.3 |
|
| 1.2.3-GCCcore-13.2 |
|
| 1.1.1-GCCcore-12.3 |
|
Miniforge3
Miniforge is a free minimal installer for conda and Mamba specific to conda-forge.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 24.11 |
|
NAMD
NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 3.0.2-foss-2025a-CUDA-12.8 |
|
| 3.0 |
|
NASM
NASM: General-purpose x86 assembler
| Versions | Environment loading command (via Lmod) |
|---|---|
| 2.16.03-GCCcore-14.2 |
|
| 2.16.03-GCCcore-13.3 |
|
| 2.16.01-GCCcore-12.3 |
|
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) |
|---|---|
| 2.26.6-GCCcore-14.2.0-CUDA-12.8 |
|
| 2.22.3-GCCcore-13.3.0-CUDA-12.6 |
|
| 2.18.3-GCCcore-12.3.0-CUDA-12.1 |
|
| 2.12.12-GCCcore-11.3.0-CUDA-11.7 |
|
NVHPC
C, C++ and Fortran compilers included with the NVIDIA HPC SDK (previously: PGI)
| Versions | Environment loading command (via Lmod) |
|---|---|
| 25.3-CUDA-12.8 |
|
| 24.9-CUDA-12.6 |
|
| 23.7-CUDA-12.2 |
|
| 22.7-CUDA-11.7 |
|
Ninja
Ninja is a small build system with a focus on speed.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 1.12.1-GCCcore-14.2 |
|
| 1.12.1-GCCcore-13.3 |
|
| 1.11.1-GCCcore-13.2 |
|
| 1.11.1-GCCcore-12.3 |
|
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) |
|---|---|
| 6.0 |
|
OpenBLAS
OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 0.3.29-NVHPC-25.3-CUDA-12.8 |
|
| 0.3.29-GCC-14.2 |
|
| 0.3.28-GCC-14.2 |
|
| 0.3.27-GCC-13.3 |
|
| 0.3.24-GCC-13.2 |
|
| 0.3.23-GCC-12.3 |
|
| 0.3.20-NVHPC-22.7-CUDA-11.7 |
|
| 0.3.20-GCC-11.3 |
|
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) |
|---|---|
| 2.5.2-GCCcore-14.2 |
|
OpenMPI
The Open MPI Project is an open source MPI-3 implementation.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 5.0.7-NVHPC-25.3-CUDA-12.8 |
|
| 5.0.7-GCC-14.2 |
|
| 5.0.6-GCC-14.2 |
|
| 5.0.3-NVHPC-24.9-CUDA-12.6 |
|
| 5.0.3-GCC-13.3 |
|
| 4.1.6-GCC-13.2 |
|
| 4.1.5-GCC-12.3 |
|
| 4.1.4-NVHPC-22.7-CUDA-11.7 |
|
| 4.1.4-GCC-11.3 |
|
| 4.0 |
|
OpenMolcas
OpenMolcas is a quantum chemistry software package.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 25.02-GCC-13.3 |
|
| 24.10-GCC-14.2 |
|
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 |
|
| 1 |
|
PAPI
PAPI provides the tool designer and application engineer with a consistent interface and methodology for use of the performance counter hardware found in most major microprocessors. PAPI enables software engineers to see, in near real time, the relation between software performance and processor events. In addition Component PAPI provides access to a collection of components that expose performance measurement opportunites across the hardware and software stack.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 7.2.0b2-GCCcore-13.3 |
|
| 7.1.0-GCCcore-13.3 |
|
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 |
|
| 10.43-GCCcore-13.3 |
|
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) |
|---|---|
| 2.10.0-GCC-14.2 |
|
| 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 |
|
| 5.0.2-GCCcore-13.3 |
|
| 4.2.6-GCCcore-13.2 |
|
| 4.2.4-GCCcore-12.3 |
|
| 4.1.2-GCCcore-11.3 |
|
| 3.1.5-GCCcore-10.2 |
|
PRRTE
PRRTE is the PMIx Reference RunTime Environment
| Versions | Environment loading command (via Lmod) |
|---|---|
| 3.0.8-GCCcore-14.2 |
|
| 3.0.5-GCCcore-13.3 |
|
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) |
|---|---|
| 1.54.0-GCCcore-13.3 |
|
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 |
|
| 5.38.2-GCCcore-13.3 |
|
| 5.38.0-GCCcore-13.2 |
|
| 5.38 |
|
| 5.36.1-GCCcore-12.3 |
|
| 5.36.0-GCCcore-12.2 |
|
| 5.34.1-GCCcore-11.3 |
|
| 5.34.0-GCCcore-11.2 |
|
| 5.32.0-GCCcore-10.2 |
|
Perl-bundle-CPAN
A set of common packages from CPAN
| Versions | Environment loading command (via Lmod) |
|---|---|
| 5.38.2-GCCcore-13.3 |
|
PnetCDF
Parallel netCDF: A Parallel I/O Library for NetCDF File Access
| Versions | Environment loading command (via Lmod) |
|---|---|
| 1.12 |
|
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 |
|
| 3.13.1-GCC-14.2 |
|
| 3.12.3-GCCcore-13.3 |
|
| 3.11.5-GCCcore-13.2 |
|
| 3.11.3-GCCcore-12.3 |
|
| 3.10.4-GCCcore-11.3 |
|
| 3.9.6-GCCcore-11.2 |
|
Python-bundle-PyPI
Bundle of Python packages from PyPI
| Versions | Environment loading command (via Lmod) |
|---|---|
| 2023.10-GCCcore-13.2 |
|
| 2023.06-GCCcore-12.3 |
|
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-14.2 |
|
Rust
Rust is a systems programming language that runs blazingly fast, prevents segfaults, and guarantees thread safety.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 1.73.0-GCCcore-13.2 |
|
| 1.70.0-GCCcore-12.3 |
|
| 1.60.0-GCCcore-11.3 |
|
| 1.54.0-GCCcore-11.2 |
|
SQLite
SQLite: SQL Database Engine in a C Library
| Versions | Environment loading command (via Lmod) |
|---|---|
| 3.47.2-GCCcore-14.2 |
|
| 3.45.3-GCCcore-13.3 |
|
| 3.43.1-GCCcore-13.2 |
|
| 3.42.0-GCCcore-12.3 |
|
| 3.38.3-GCCcore-11.3 |
|
| 3.36-GCCcore-11.2 |
|
| 3.33.0-GCCcore-10.2 |
|
ScaLAPACK
The ScaLAPACK (or Scalable LAPACK) library includes a subset of LAPACK routines redesigned for distributed memory MIMD parallel computers.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 2.2.0-nvompi-2022 |
|
| 2.2.0-gompi-2023 |
|
| 2.2 |
|
SciPy-bundle
Bundle of Python packages for scientific software
| Versions | Environment loading command (via Lmod) |
|---|---|
| 2023 |
|
| 2022 |
|
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 |
|
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 |
|
Szip
Szip compression software, providing lossless compression of scientific data
| Versions | Environment loading command (via Lmod) |
|---|---|
| 2.1.1-GCCcore-14.2 |
|
| 2.1.1-GCCcore-13.3 |
|
| 2.1.1-GCCcore-12.3 |
|
| 2.1.1-GCCcore-11.3 |
|
TOML-Fortran
TOML parser for Fortran projects
| Versions | Environment loading command (via Lmod) |
|---|---|
| 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 |
|
| 8.6.14-GCCcore-13.3 |
|
| 8.6.13-GCCcore-13.2 |
|
| 8.6.13-GCCcore-12.3 |
|
| 8.6.12-GCCcore-11.3 |
|
| 8.6.11-GCCcore-11.2 |
|
| 8.6.11-GCCcore-10.3 |
|
| 8.6.10-GCCcore-10.2 |
|
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 |
|
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 |
|
| 1.3.0-GCCcore-13.3 |
|
| 1.2.0-GCCcore-13.2 |
|
| 1.2.0-GCCcore-12.3 |
|
| 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-14.2.0-CUDA-12.8 |
|
| 1.3.0-GCCcore-13.3.0-CUDA-12.6 |
|
| 1.0.0-GCCcore-11.3.0-CUDA-11.7 |
|
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 |
|
| 1.16.0-GCCcore-13.3 |
|
| 1.15.0-GCCcore-13.2 |
|
| 1.14.1-GCCcore-12.3 |
|
| 1.13.1-GCCcore-12.2 |
|
| 1.12.1-GCCcore-11.3 |
|
| 1.11.2-GCCcore-11.2 |
|
| 1.9.0-GCCcore-10.2.0-CUDA-11.1 |
|
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) |
|---|---|
| 1.18.0-GCCcore-14.2.0-CUDA-12.8 |
|
| 1.16.0-GCCcore-13.3.0-CUDA-12.6 |
|
| 1.15.0-GCCcore-13.2.0-CUDA-12.4 |
|
| 1.14.1-GCCcore-12.3.0-CUDA-12.1 |
|
| 1.12.1-GCCcore-11.3.0-CUDA-11.7 |
|
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 |
|
| 6.0-GCCcore-13.3 |
|
| 6.0-GCCcore-13.2 |
|
| 6.0-GCCcore-12.3 |
|
| 6.0-GCCcore-11.3 |
|
| 6.0-GCCcore-11.2 |
|
| 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 |
|
Wannier90
A tool for obtaining maximally-localised Wannier functions
| Versions | Environment loading command (via Lmod) |
|---|---|
| 3.1.0-GCC-14.2 |
|
| 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) |
|---|---|
| 1.23.0-GCCcore-13.3 |
|
X11
The X Window System (X11) is a windowing system for bitmap displays
| Versions | Environment loading command (via Lmod) |
|---|---|
| 20240607-GCCcore-13.3 |
|
XZ
xz: XZ utilities
| Versions | Environment loading command (via Lmod) |
|---|---|
| 5.6.3-GCCcore-14.2 |
|
| 5.4.5-GCCcore-13.3 |
|
| 5.4.4-GCCcore-13.2 |
|
| 5.4.2-GCCcore-12.3 |
|
| 5.2.7-GCCcore-12.2 |
|
| 5.2.5-GCCcore-11.3 |
|
| 5.2.5-GCCcore-11.2 |
|
| 5.2.5-GCCcore-10.3 |
|
| 5.2.5-GCCcore-10.2 |
|
Zip
Zip is a compression and file packaging/archive utility. Although highly compatible both with PKWARE's PKZIP and PKUNZIP utilities for MS-DOS and with Info-ZIP's own UnZip, our primary objectives have been portability and other-than-MSDOS functionality
| Versions | Environment loading command (via Lmod) |
|---|---|
| 3.0-GCCcore-12.3 |
|
absl-py
absl-py is a collection of Python library code for building Python applications. The code is collected from Google's own Python code base, and has been extensively tested and used in production.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 2.1.0-GCCcore-12.3 |
|
binutils
binutils: GNU binary utilities
| Versions | Environment loading command (via Lmod) |
|---|---|
| 2.42-GCCcore-14.2 |
|
| 2.42-GCCcore-13.3 |
|
| 2.40-GCCcore-13.2 |
|
| 2.40-GCCcore-12.3 |
|
| 2.39-GCCcore-12.2 |
|
| 2.38-GCCcore-11.3 |
|
| 2.37-GCCcore-11.2 |
|
| 2.36.1-GCCcore-10.3 |
|
| 2.36 |
|
| 2.35-GCCcore-10.2 |
|
| 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 |
|
| 1.0.8-GCCcore-13.3 |
|
| 1.0.8-GCCcore-13.2 |
|
| 1.0.8-GCCcore-12.3 |
|
| 1.0.8-GCCcore-12.2 |
|
| 1.0.8-GCCcore-11.3 |
|
| 1.0.8-GCCcore-11.2 |
|
| 1.0.8-GCCcore-10.3 |
|
| 1.0.8-GCCcore-10.2 |
|
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 |
|
| 8.7.1-GCCcore-13.3 |
|
| 8.3.0-GCCcore-13.2 |
|
| 8.0.1-GCCcore-12.3 |
|
| 7.86.0-GCCcore-12.2 |
|
| 7.83.0-GCCcore-11.3 |
|
| 7.78.0-GCCcore-11.2 |
|
| 7.76.0-GCCcore-10.3 |
|
| 7.72.0-GCCcore-10.2 |
|
cairo
Cairo is a 2D graphics library with support for multiple output devices. Currently supported output targets include the X Window System (via both Xlib and XCB), Quartz, Win32, image buffers, PostScript, PDF, and SVG file output. Experimental backends include OpenGL, BeOS, OS/2, and DirectFB
| Versions | Environment loading command (via Lmod) |
|---|---|
| 1.18.0-GCCcore-13.3 |
|
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) |
|---|---|
| 1.15.1-GCCcore-13.2 |
|
| 1.15.1-GCCcore-12.3 |
|
cppy
A small C++ header library which makes it easier to write Python extension modules. The primary feature is a PyObject smart pointer which automatically handles reference counting and provides convenience methods for performing common object operations.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 1.2.1-GCCcore-12.3 |
|
| 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) |
|---|---|
| 41.0.5-GCCcore-13.2 |
|
| 41.0.1-GCCcore-12.3 |
|
cuDNN
The NVIDIA CUDA Deep Neural Network library (cuDNN) is a GPU-accelerated library of primitives for deep neural networks.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 8.9.2.26-CUDA-12.1 |
|
cuTENSOR
The cuTENSOR Library is a GPU-accelerated tensor linear algebra library providing tensor contraction, reduction and elementwise operations.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 2.0.1.2-CUDA-12.2 |
|
dill
dill extends python's pickle module for serializing and de-serializing python objects to the majority of the built-in python types. Serialization is the process of converting an object to a byte stream, and the inverse of which is converting a byte stream back to on python object hierarchy.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 0.3.7-GCCcore-12.3 |
|
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 |
|
| 2.6.2-GCCcore-13.3 |
|
| 2.5.0-GCCcore-13.2 |
|
| 2.5.0-GCCcore-12.3 |
|
| 2.4.9-GCCcore-12.2 |
|
| 2.4.8-GCCcore-11.3 |
|
| 2.4.1-GCCcore-11.2 |
|
| 2.2.9-GCCcore-10.2 |
|
flatbuffers-python
Python Flatbuffers runtime library.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 23.5.26-GCCcore-12.3 |
|
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 |
|
| 2.6.4-GCCcore-13.3 |
|
| 2.6.4-GCCcore-13.2 |
|
| 2.6.4-GCCcore-12.3 |
|
| 2.6.4-GCCcore-12.2 |
|
| 2.6.4-GCCcore-11.3 |
|
| 2.6.4-GCCcore-11.2 |
|
| 2.6.4-GCCcore-10.3 |
|
| 2.6.4-GCCcore-10.2 |
|
| 2.6 |
|
flit
A simple packaging tool for simple packages.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 3.9.0-GCCcore-13.2 |
|
| 3.9.0-GCCcore-12.3 |
|
flook
The fortran-Lua-hook library.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 0.8.4-GCC-14.2 |
|
| 0.8.4-GCC-13.3 |
|
| 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) |
|---|---|
| 2.15.0-GCCcore-13.3 |
|
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) |
|---|---|
| 4.53.1-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 |
|
| 2023b |
|
| 2023a |
|
| 2022a |
|
freetype
FreeType 2 is a software font engine that is designed to be small, efficient, highly customizable, and portable while capable of producing high-quality output (glyph images). It can be used in graphics libraries, display servers, font conversion tools, text image generation tools, and many other products as well.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 2.13.2-GCCcore-13.3 |
|
| 2.13.0-GCCcore-12.3 |
|
| 2.12.1-GCCcore-11.3 |
|
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 |
|
| 5.9-GCC-14.2 |
|
gcccuda
GNU Compiler Collection (GCC) based compiler toolchain, along with CUDA toolkit.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 2020b |
|
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 |
|
| 0.22.5-GCCcore-13.3 |
|
| 0.22-GCCcore-13.2 |
|
| 0.22 |
|
| 0.21.1-GCCcore-12.3 |
|
| 0.21-GCCcore-11.3 |
|
| 0.21-GCCcore-11.2 |
|
| 0.21 |
|
| 0.19 |
|
| 0 |
|
gfbf
GNU Compiler Collection (GCC) based compiler toolchain, including FlexiBLAS (BLAS and LAPACK support) and (serial) FFTW.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 2023b |
|
| 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 |
|
git
Git is a free and open source distributed version control system designed to handle everything from small to very large projects with speed and efficiency.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 2.42.0-GCCcore-13.2 |
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| 2.41.0-GCCcore-12.3 |
|
| 2.36.0-GCCcore-11.3 |
|
| 2.33.1-GCCcore-11.2 |
|
gompi
GNU Compiler Collection (GCC) based compiler toolchain, including OpenMPI for MPI support.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 2025a |
|
| 2024a |
|
| 2023b |
|
| 2023a |
|
| 2023 |
|
| 2022a |
|
gompic
GNU Compiler Collection (GCC) based compiler toolchain along with CUDA toolkit, including OpenMPI for MPI support with CUDA features enabled.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 2020b |
|
gperf
GNU gperf is a perfect hash function generator. For a given list of strings, it produces a hash function and hash table, in form of C or C++ code, for looking up a value depending on the input string. The hash function is perfect, which means that the hash table has no collisions, and the hash table lookup needs a single string comparison only.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 3.1-GCCcore-13.3 |
|
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-13.3 |
|
| 1.22.4-GCCcore-12.3 |
|
| 1.22.4-GCCcore-12.2 |
|
| 1.22.4-GCCcore-11.3 |
|
| 1.22.4-GCCcore-11.2 |
|
| 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 |
|
| 1.13-GCCcore-13.3 |
|
| 1.12-GCCcore-12.3 |
|
| 1.12-GCCcore-11.3 |
|
hatchling
Extensible, standards compliant build backend used by Hatch, a modern, extensible Python project manager.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 1.18.0-GCCcore-13.2 |
|
| 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 |
|
| 1.49.3-GCCcore-13.3 |
|
| 1.49.3-GCCcore-13.2 |
|
| 1.49.3-GCCcore-12.3 |
|
| 1.49.2-GCCcore-12.2 |
|
| 1.49.2-GCCcore-11.3 |
|
| 1.48.3-GCCcore-11.2 |
|
| 1.48.3-GCCcore-10.3 |
|
| 1.47.16-GCCcore-10.2 |
|
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 |
|
| 2.10.0-GCCcore-13.3 |
|
| 2.9.2-GCCcore-13.2 |
|
| 2.9.1-GCCcore-12.3 |
|
| 2.7.1-GCCcore-11.3 |
|
| 2.2.0-GCCcore-10.2 |
|
hypothesis
Hypothesis is an advanced testing library for Python. It lets you write tests which are parametrized by a source of examples, and then generates simple and comprehensible examples that make your tests fail. This lets you find more bugs in your code with less work.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 6.90.0-GCCcore-13.2 |
|
| 6.82.0-GCCcore-12.3 |
|
| 6.46.7-GCCcore-11.3 |
|
| 6.14.6-GCCcore-11.2 |
|
iimpi
Intel C/C++ and Fortran compilers, alongside Intel MPI.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 2025a |
|
| 2024a |
|
| 2023a |
|
| 2022b |
|
imkl
Intel oneAPI Math Kernel Library
| Versions | Environment loading command (via Lmod) |
|---|---|
| 2025.1 |
|
| 2024.2 |
|
| 2023.1 |
|
| 2022.1 |
|
imkl-FFTW
FFTW interfaces using Intel oneAPI Math Kernel Library
| Versions | Environment loading command (via Lmod) |
|---|---|
| 2025.1 |
|
| 2024.2 |
|
| 2023.1 |
|
impi
Intel MPI Library, compatible with MPICH ABI
| Versions | Environment loading command (via Lmod) |
|---|---|
| 2021.15.0-intel-compilers-2025.1 |
|
| 2021.13.0-intel-compilers-2024.2 |
|
| 2021.9.0-intel-compilers-2023.1 |
|
| 2021.7.1-intel-compilers-2022.2 |
|
inputproto
X.org InputProto protocol headers.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 2.3 |
|
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 |
|
| 2025a |
|
| 2025 |
|
| 2024a |
|
| 2023a |
|
intel-compilers
Intel C, C++ & Fortran compilers
| Versions | Environment loading command (via Lmod) |
|---|---|
| 2025.1 |
|
| 2024.2 |
|
| 2023.1 |
|
| 2022.2 |
|
| 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-13.3 |
|
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 |
|
| 2.1-GCCcore-13.3 |
|
json-fortran
JSON-Fortran: A Modern Fortran JSON API
| Versions | Environment loading command (via Lmod) |
|---|---|
| 9.0.2-GCC-12.3 |
|
kalign
No description available
| Versions | Environment loading command (via Lmod) |
|---|---|
| 3.4.0-GCC-14.2 |
|
libGLU
The OpenGL Utility Library (GLU) is a computer graphics library for OpenGL.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 9.0.3-GCCcore-13.3 |
|
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 |
|
libPSML
A library to handle pseudopotentials in PSML format
| Versions | Environment loading command (via Lmod) |
|---|---|
| 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 |
|
| 3.7.4-GCCcore-13.3 |
|
| 3.7.2-GCCcore-13.2 |
|
| 3.6.2-GCCcore-12.3 |
|
| 3.6.1-GCCcore-12.2 |
|
| 3.6.1-GCCcore-11.3 |
|
| 3.5.1-GCCcore-11.2 |
|
| 3.5.1-GCCcore-10.3 |
|
| 3.4.3-GCCcore-10.2 |
|
libdeflate
Heavily optimized library for DEFLATE/zlib/gzip compression and decompression.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 1.20-GCCcore-14.2 |
|
| 1.20-GCCcore-13.3 |
|
libdrm
Direct Rendering Manager runtime library.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 2.4.122-GCCcore-13.3 |
|
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 |
|
| 2.1.12-GCCcore-13.3 |
|
| 2.1.12-GCCcore-13.2 |
|
| 2.1.12-GCCcore-12.3 |
|
| 2.1.12-GCCcore-11.3 |
|
| 2.1.12-GCCcore-11.2 |
|
| 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 |
|
| 1.21.0-GCCcore-13.3 |
|
| 1.19.0-GCCcore-13.2 |
|
| 1.18.0-GCCcore-12.3 |
|
| 1.15.1-GCCcore-11.3 |
|
| 1.13.2-GCCcore-11.2 |
|
| 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 |
|
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 |
|
| 3.4.5-GCCcore-13.3 |
|
| 3.4.5-GCC-14.2 |
|
| 3.4.4-GCCcore-13.2 |
|
| 3.4.4-GCCcore-12.3 |
|
| 3.4.2-GCCcore-11.3 |
|
| 3.4.2-GCCcore-11.2 |
|
libglvnd
libglvnd is a vendor-neutral dispatch layer for arbitrating OpenGL API calls between multiple vendors.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 1.7.0-GCCcore-13.3 |
|
libiconv
Libiconv converts from one character encoding to another through Unicode conversion
| Versions | Environment loading command (via Lmod) |
|---|---|
| 1.18-GCCcore-14.2 |
|
| 1.17-GCCcore-13.3 |
|
| 1.17-GCCcore-13.2 |
|
| 1.17-GCCcore-12.3 |
|
| 1.17-GCCcore-11.3 |
|
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 |
|
libjpeg-turbo
libjpeg-turbo is a fork of the original IJG libjpeg which uses SIMD to accelerate baseline JPEG compression and decompression. libjpeg is a library that implements JPEG image encoding, decoding and transcoding.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 3.0.1-GCCcore-14.2 |
|
| 3.0.1-GCCcore-13.3 |
|
libpciaccess
Generic PCI access library.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 0.18.1-GCCcore-14.2 |
|
| 0.18.1-GCCcore-13.3 |
|
| 0.17-GCCcore-13.2 |
|
| 0.17-GCCcore-12.3 |
|
| 0.16-GCCcore-11.3 |
|
| 0.16-GCCcore-10.2 |
|
libpng
libpng is the official PNG reference library
| Versions | Environment loading command (via Lmod) |
|---|---|
| 1.6.43-GCCcore-14.2 |
|
| 1.6.43-GCCcore-13.3 |
|
| 1.6.39-GCCcore-12.3 |
|
| 1.6.37-GCCcore-11.3 |
|
libpsl
C library for the Public Suffix List
| Versions | Environment loading command (via Lmod) |
|---|---|
| 0.21.5-GCCcore-14.2 |
|
libpthread-stubs
The X protocol C-language Binding (XCB) is a replacement for Xlib featuring a small footprint, latency hiding, direct access to the protocol, improved threading support, and extensibility.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 0 |
|
libreadline
The GNU Readline library provides a set of functions for use by applications that allow users to edit command lines as they are typed in. Both Emacs and vi editing modes are available. The Readline library includes additional functions to maintain a list of previously-entered command lines, to recall and perhaps reedit those lines, and perform csh-like history expansion on previous commands.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 8.2-GCCcore-14.2 |
|
| 8.2-GCCcore-13.3 |
|
| 8.2-GCCcore-13.2 |
|
| 8.2-GCCcore-12.3 |
|
| 8.2-GCCcore-12.2 |
|
| 8.1.2-GCCcore-11.3 |
|
| 8.1-GCCcore-11.2 |
|
| 8.0-GCCcore-10.2 |
|
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 |
|
| 2.4.7-GCCcore-13.3 |
|
| 2.4.7-GCCcore-13.2 |
|
| 2.4.7-GCCcore-12.3 |
|
| 2.4.7-GCCcore-12.2 |
|
| 2.4.7-GCCcore-11.3 |
|
| 2.4.6-GCCcore-11.2 |
|
| 2.4.6-GCCcore-10.2 |
|
| 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 |
|
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-13.3 |
|
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-12.3 |
|
libxc
Libxc is a library of exchange-correlation functionals for density-functional theory. The aim is to provide a portable, well tested and reliable set of exchange and correlation functionals.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 6.2.2-intel-compilers-2023.1 |
|
| 6.2.2-GCC-14.2 |
|
| 6.2.2-GCC-12.3 |
|
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 |
|
| 2.12.7-GCCcore-13.3 |
|
| 2.11.5-GCCcore-13.2 |
|
| 2.11.4-GCCcore-12.3 |
|
| 2.9.13-GCCcore-11.3 |
|
| 2.9.10-GCCcore-11.2 |
|
| 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-12.3 |
|
linaro-forge
No description available
| Versions | Environment loading command (via Lmod) |
|---|---|
| 24.1 |
|
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 |
|
| 1.9.4-GCCcore-13.3 |
|
| 1.9.4-GCCcore-12.3 |
|
| 1.9.3-GCCcore-11.3 |
|
make
GNU version of make utility
| Versions | Environment loading command (via Lmod) |
|---|---|
| 4.4.1-GCCcore-14.2 |
|
| 4.4.1-GCCcore-13.3 |
|
| 4.4.1-GCCcore-13.2 |
|
| 4.4.1-GCCcore-12.3 |
|
| 4.3-GCCcore-11.3 |
|
| 4.3-GCCcore-11.2 |
|
| 4.3-GCCcore-10.2 |
|
makeinfo
makeinfo is part of the Texinfo project, the official documentation format of the GNU project. This is a minimal build with very basic functionality. Should only be used for build dependencies.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 6.7-GCCcore-10.2 |
|
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 |
|
meson-python
Python build backend (PEP 517) for Meson projects
| Versions | Environment loading command (via Lmod) |
|---|---|
| 0.15.0-GCCcore-13.2 |
|
| 0.13.2-GCCcore-12.3 |
|
ml_dtypes
ml_dtypes is a stand-alone implementation of several NumPy dtype extensions used in machine learning libraries, including: bfloat16: an alternative to the standard float16 format float8_*: several experimental 8-bit floating point representations including: float8_e4m3b11fnuz float8_e4m3fn float8_e4m3fnuz float8_e5m2 float8_e5m2fnuz
| Versions | Environment loading command (via Lmod) |
|---|---|
| 0.3 |
|
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) |
|---|---|
| 3.1 |
|
mstore
Molecular structure store for testing
| Versions | Environment loading command (via Lmod) |
|---|---|
| 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 |
|
| 6.5-GCCcore-13.3 |
|
| 6.4-GCCcore-13.2 |
|
| 6.4-GCCcore-12.3 |
|
| 6.3-GCCcore-12.2 |
|
| 6.3-GCCcore-11.3 |
|
| 6.2-GCCcore-11.2 |
|
| 6.2-GCCcore-10.3 |
|
| 6.2-GCCcore-10.2 |
|
| 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-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 |
|
networkx
NetworkX is a Python package for the creation, manipulation, and study of the structure, dynamics, and functions of complex networks.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 3.2 |
|
| 2.8 |
|
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 |
|
| 2.0.18-GCCcore-13.3 |
|
| 2.0.16-GCCcore-13.2 |
|
| 2.0.16-GCCcore-12.3 |
|
| 2.0.16-GCCcore-12.2 |
|
| 2.0.14-GCCcore-11.3 |
|
| 2.0.14-GCCcore-11.2 |
|
| 2.0.13-GCCcore-10.2 |
|
nvofbf
NVHPC based toolchain, including OpenMPI for MPI support, OpenBLAS (via FlexiBLAS for BLAS and LAPACK support), FFTW and ScaLAPACK.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 2022 |
|
nvompi
NVHPC based compiler toolchain, including OpenMPI for MPI support.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 2022 |
|
openbox
Openbox is a highly configurable, lightweight, and standards-compliant stacking window manager for the X Window System.
| Versions | Environment loading command (via Lmod) |
|---|---|
| openbox-3.6 |
|
patchelf
PatchELF is a small utility to modify the dynamic linker and RPATH of ELF executables.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 0.18.0-GCCcore-13.2 |
|
| 0.18.0-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) |
|---|---|
| 0.43.4-GCCcore-13.3 |
|
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-11.2 |
|
| 0.29.2-GCCcore-10.3 |
|
| 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 |
|
| 2.2.0-GCCcore-13.3 |
|
| 2.0.3-GCCcore-13.2 |
|
| 1.9.5-GCCcore-12.3 |
|
| 1.9.3-GCCcore-12.2 |
|
| 1.8.0-GCCcore-11.3 |
|
| 1.8 |
|
poetry
Python packaging and dependency management made easy. Poetry helps you declare, manage and install dependencies of Python projects, ensuring you have the right stack everywhere.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 1.6.1-GCCcore-13.2 |
|
| 1.5.1-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) |
|---|---|
| 2.11.1-GCCcore-13.2 |
|
| 2.11.1-GCCcore-12.3 |
|
| 2.9.2-GCCcore-11.3 |
|
| 2.7.1-GCCcore-11.2 |
|
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) |
|---|---|
| 7.4.2-GCCcore-12.3 |
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pytest-xdist
xdist: pytest distributed testing plugin The pytest-xdist plugin extends pytest with some unique test execution modes: * test run parallelization: if you have multiple CPUs or hosts you can use those for a combined test run. This allows to speed up development or to use special resources of remote machines. * --looponfail: run your tests repeatedly in a subprocess. After each run pytest waits until a file in your project changes and then re-runs the previously failing tests. This is repeated until all tests pass after which again a full run is performed. * Multi-Platform coverage: you can specify different Python interpreters or different platforms and run tests in parallel on all of them. Before running tests remotely, pytest efficiently “rsyncs” your program source code to the remote place. All test results are reported back and displayed to your local terminal. You may specify different Python versions and interpreters.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 3.3.1-GCCcore-12.3 |
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renderproto
Xrender protocol and ancillary headers
| Versions | Environment loading command (via Lmod) |
|---|---|
| 0 |
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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 |
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scikit-build
Scikit-Build, or skbuild, is an improved build system generator for CPython C/C++/Fortran/Cython extensions.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 0.17.6-GCCcore-13.2 |
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| 0.17.6-GCCcore-12.3 |
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| 0.15.0-GCCcore-11.3 |
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| 0.11.1-GCCcore-11.2 |
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scikit-build-core
Scikit-build-core is a complete ground-up rewrite of scikit-build on top of modern packaging APIs. It provides a bridge between CMake and the Python build system, allowing you to make Python modules with CMake.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 0.9.3-GCCcore-13.2 |
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setuptools-rust
setuptools-rust is a plugin for setuptools to build Rust Python extensions implemented with PyO3 or rust-cpython.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 1.8.0-GCCcore-13.2 |
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| 1.6.0-GCCcore-12.3 |
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spglib
Spglib is a C library for finding and handling crystal symmetries.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 2.5.0-GCCcore-14.2 |
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| 2.5.0-GCCcore-13.3 |
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st
No description available
| Versions | Environment loading command (via Lmod) |
|---|---|
| 0.9 |
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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) |
|---|---|
| 6.24.16-GCCcore-14.2 |
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| 6.24.01-GCCcore-11.3 |
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| 6.22.04-GCCcore-10.3 |
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| 6.22.03-GCCcore-10.2 |
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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 |
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time
The `time' command runs another program, then displays information about the resources used by that program, collected by the system while the program was running.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 1.9-GCCcore-11.3 |
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turbomole
No description available
| Versions | Environment loading command (via Lmod) |
|---|---|
| 7 |
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util-linux
Set of Linux utilities
| Versions | Environment loading command (via Lmod) |
|---|---|
| 2.41-GCCcore-14.2 |
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| 2.40-GCCcore-13.3 |
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virtualenv
A tool for creating isolated virtual python environments.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 20.24.6-GCCcore-13.2 |
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| 20.23.1-GCCcore-12.3 |
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xcb-proto
The X protocol C-language Binding (XCB) is a replacement for Xlib featuring a small footprint, latency hiding, direct access to the protocol, improved threading support, and extensibility.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 1 |
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xmlf90
A fast XML parser and generator in Fortran
| Versions | Environment loading command (via Lmod) |
|---|---|
| 1.6.3-GCC-14.2 |
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| 1.6.3-GCC-12.3 |
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xorg-macros
X.org macros utilities.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 1.20.2-GCCcore-14.2 |
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| 1.20.1-GCCcore-13.3 |
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| 1.20.0-GCCcore-13.2 |
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| 1.20.0-GCCcore-12.3 |
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| 1.19.3-GCCcore-11.3 |
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| 1.19.2-GCCcore-10.2 |
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xxd
xxd is part of the VIM package and this will only install xxd, not vim! xxd converts to/from hexdumps of binary files.
| Versions | Environment loading command (via Lmod) |
|---|---|
| 9.0.2112-GCCcore-12.3 |
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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 |
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| 1.3.1-GCCcore-13.3 |
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| 1.3 |
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| 1.2.13-GCCcore-13.2 |
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| 1.2.13-GCCcore-12.3 |
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| 1.2.12-GCCcore-12.2 |
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| 1.2.12-GCCcore-11.3 |
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| 1.2.11-GCCcore-11.2 |
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| 1.2.11-GCCcore-10.3 |
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| 1.2.11-GCCcore-10.2 |
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| 1.2 |
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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 |
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| 1.5.6-GCCcore-13.3 |
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| 1.5.5-GCCcore-12.3 |
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| 1.5.2-GCCcore-11.3 |
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Last update: November 7, 2025