Hardware Configuration

BeoShock Compute Nodes   Purchase Hardware

Software Available on BeoShock

You can also check the installed software by using "module avail" in terminal on Beoshock. If you want to request new or updated software on Beoshock, please email beoshock@cs.ksu.edu

Commerical Codes

Name Version Description
ABAQUS 2018 Finite element software for structural analysis. You must provide your own license.
COMSOL 5.3a A cross-platform finite element analysis, solver and multiphysics simulation software. You must provide your own license.
Gaussian

09_C.01

16_C.01

Gaussian provides electronic structure modeling. You must provide your own license.
LS-DYNA

10.1-mpp

11.1

An advanced general-purpose multiphysics simulation software package. You must provide your own license.
Mathematica

12.2.0

12.3.0

Mathematica is a computational software program used in many scientific, engineering, mathematical and computing fields. The HPC has 10 licenses.
MATLAB

2019b

2021a

A proprietary multi-paradigm programming language and numeric computing environment. The HPC has 50 licenses.
SARscape 1.1r  SARscape is a modular set of functions supporting all above mentioned techniques for the processing of all spaceborne and selected airborne SAR data. You must provide your own license.

Open Source 

Name Version Description
ACTC

ACTC/1.1-GCCcore-10.2.0

ACTC converts independent triangles into triangle strips or fans.
ATK

ATK/2.32.0-GCCcore-8.2.0, ATK/2.32.0-GCCcore-8.3.0, ATK/2.34.1-GCCcore-8.3.0

ATK provides the set of accessibility interfaces that are implemented by other toolkits and applications. 

Anaconda3 Anaconda3/2020.11 Platform for data science and machine learning.
Arrow Arrow/0.16.0-foss-2019b-Python-3.7.4 A cross-language development platform for in-memory data.
Autoconf

Autoconf/2.69-GCCcore-8.2.0, Autoconf/2.69-GCCcore-8.3.0, Autoconf/2.69-GCCcore-9.3.0, Autoconf/2.69-GCCcore-10.2.0, Autoconf/2.71-GCCcore-10.3.0

An extensible package of M4 macros that produce shell scripts to automatically configure software source code packages.
Automake

Automake/1.16.1-GCCcore-8.2.0, Automake/1.16.1-GCCcore-8.3.0, Automake/1.16.1-GCCcore-9.3.0, Automake/1.16.2-GCCcore-10.2.0, Automake/1.16.3-GCCcore-10.3.0

GNU Standards-compliant Makefile generator.
Autotools Autotools/20180311-GCCcore-8.2.0, Autotools/20180311-GCCcore-8.3.0, Autotools/20180311-GCCcore-9.3.0, Autotools/20200321-GCCcore-10.2.0 A bundle collect the standard GNU build tools: Autoconf, Automake and libtool.
BLAST+ BLAST+/2.9.0-gompi-2019b

An algorithm for comparing primary biological sequence information, such as the amino-acid sequences of different proteins or the nucleotides of DNA sequences.

Bazel

Bazel/0.20.0-GCCcore-8.2.0, Bazel/0.26.1-GCCcore-8.3.0, Bazel/0.29.1-GCCcore-8.3.0, Bazel/3.4.1-GCCcore-8.3.0, Bazel/3.7.2-GCCcore-10.2.0

A build tool that builds majority of Google's software.
Bison

Bison/3.0.4, Bison/3.0.5-GCCcore-8.2.0, Bison/3.0.5, Bison/3.3.2-GCCcore-8.3.0, Bison/3.3.2, Bison/3.5.3-GCCcore-9.3.0, Bison/3.5.3, Bison/3.7.1-GCCcore-10.2.0

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.

Boost

Boost/1.71.0-gompi-2019b, Boost/1.72.0-gompi-2020a, Boost/1.74.0-GCC-10.2.0, Boost/1.76.0-GCC-10.3.0

Boost provides free peer-reviewed portable C++ source libraries, emphasizing libraries that work well with the C++ Standard Library.
Brotli

Brotli/1.0.9-GCCcore-10.2.0, Brotli/1.0.9-GCCcore-10.3.0

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.

CGAL

CGAL/4.14.1-foss-2019b-Python-3.7.4, CGAL/4.14.3-gompi-2021a

Provide an easy access to efficient and reliable geometric algorithms in the form of a C++ library.
CLHEP

CLHEP/2.4.1.3-foss-2019b, CLHEP/2.4.4.0-GCC-10.2.0

A set of HEP-specific foundation and utility classes packages such as random generators, physics vectors, geometry and linear algebra.
CMake

CMake/3.13.3-GCCcore-8.2.0, CMake/3.15.3-GCCcore-8.3.0, CMake/3.16.4-GCCcore-9.3.0, CMake/3.18.4-GCCcore-10.2.0, CMake/3.20.1-GCCcore-10.3.0

A family of tools designed to build, test and package software. 
CUDA

CUDA/10.1.105-GCC-8.2.0-2.31.1, CUDA/10.1.243-GCC-8.3.0, CUDA/11.1.1-GCC-10.2.0, CUDA/11.3.1

A parallel computing platform and programming model created by NVIDIA and implemented by the graphics processing units (GPUs) that they produce.

 
CUDAcore 

CUDAcore/11.1.1

A parallel computing platform and programming model created by NVIDIA and implemented by the graphics processing units (GPUs) that they produce.
Check

Check/0.15.2-GCCcore-10.2.0

A unit testing framework for C.
DB

DB/18.1.32-GCCcore-8.2.0, DB/18.1.32-GCCcore-8.3.0, DB/18.1.32-GCCcore-9.3.0, DB/18.1.40-GCCcore-10.2.0, DB/18.1.40-GCCcore-10.3.0, DB/18.1.40-GCCcore-11.2.0

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

DBus/1.13.8-GCCcore-8.2.0, DBus/1.13.12-GCCcore-8.3.0, DBus/1.13.12-GCCcore-9.3.0, DBus/1.13.18-GCCcore-10.3.0

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 processlifecycle; 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.

Doxygen

Doxygen/1.8.16-GCCcore-8.3.0, Doxygen/1.8.17-GCCcore-9.3.0, Doxygen/1.8.20-GCCcore-10.2.0, Doxygen/1.9.1-GCCcore-10.3.0

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.
EasyBuild

EasyBuild/4.5.0

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

Eigen/3.3.7-GCCcore-9.3.0, Eigen/3.3.7, Eigen/3.3.8-GCCcore-10.2.0, Eigen/3.3.9-GCCcore-10.2.0, Eigen/3.3.9-GCCcore-10.3.0

A C++ template library for linear algebra: matrices, vectors, numerical solvers, and related algorithms.
FFTW

FFTW/3.3.8-gompi-2019a, FFTW/3.3.8-gompi-2019b, FFTW/3.3.8-gompi-2020a, FFTW/3.3.8-gompi-2020b, FFTW/3.3.8-gompic-2019a, FFTW/3.3.8-gompic-2019b

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.

FFmpeg

FFmpeg/4.1.3-GCCcore-8.2.0, FFmpeg/4.2.1-GCCcore-8.3.0, FFmpeg/4.2.2-GCCcore-9.3.0, FFmpeg/4.3.1-GCCcore-10.2.0, FFmpeg/4.3.2-GCCcore-10.3.0

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

FLAC/1.3.3-GCCcore-10.2.0, FLAC/1.3.3-GCCcore-10.3.0

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

FLTK/1.3.5-GCC-8.3.0, FLTK/1.3.5-GCCcore-10.2.0

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

FlexiBLAS FlexiBLAS/3.0.4-GCC-10.3.0 FlexiBLAS is a wrapper library that enables the exchange of the BLAS and LAPACK implementation used by a program without recompiling or relinking it.
FriBidi

FriBidi/1.0.5-GCCcore-8.2.0, FriBidi/1.0.5-GCCcore-8.3.0, FriBidi/1.0.9-GCCcore-9.3.0, FriBidi/1.0.10-GCCcore-10.2.0, FriBidi/1.0.10-GCCcore-10.3.0

 The Free Implementation of the Unicode Bidirectional Algorithm.
GCC

GCC/8.2.0-2.31.1, GCC/8.3.0, GCC/9.3.0, GCC/10.2.0, GCC/10.3.0

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

GCCcore/8.2.0, GCCcore/8.3.0, GCCcore/9.3.0, GCCcore/10.2.0, GCCcore/10.3.0, GCCcore/11.2.0

The GNU Compiler Collection includes front ends for C, C++, Objective-C, Fortran, Java, and Ada, as well as libraries for these languages
GDAL

GDAL/3.2.1-foss-2020b, GDAL/3.3.0-foss-2021a

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.
GDRCopy

GDRCopy/2.1-GCCcore-10.2.0-CUDA-11.1.1, GDRCopy/2.2-GCCcore-10.3.0

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

GEOS/3.9.1-GCC-10.2.0, GEOS/3.9.1-GCC-10.3.0

a C++ port of the Java Topology Suite (JTS).
GL2PS

GL2PS/1.4.0-GCCcore-8.3.0

An OpenGL to PostScript printing library.
GLPK

GLPK/4.65-GCCcore-8.3.0, GLPK/4.65-GCCcore-9.3.0, GLPK/4.65-GCCcore-10.2.0, GLPK/5.0-GCCcore-10.3.0

The GLPK (GNU Linear Programming Kit) package is intended for solving large-scale linear programming (LP), mixed integer programming (MIP), and other related problems. It is a set of routines written in ANSI C and organized in the form of a callable library.

GLib

GLib/2.60.1-GCCcore-8.2.0, GLib/2.62.0-GCCcore-8.3.0, GLib/2.64.1-GCCcore-9.3.0, GLib/2.66.1-GCCcore-10.2.0, GLib/2.68.2-GCCcore-10.3.0

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

GMP/6.1.2-GCCcore-8.2.0, GMP/6.1.2-GCCcore-8.3.0, GMP/6.2.0-GCCcore-9.3.0, GMP/6.2.0-GCCcore-10.2.0, GMP/6.2.1-GCCcore-10.3.0, GMP/6.2.1-GCCcore-11.2.0

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

GObject-Introspection/1.60.1-GCCcore-8.2.0-Python-3.7.2, GObject-Introspection/1.60.2-GCCcore-8.3.0-Python-3.7.4

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.


GROMACS

GROMACS/2019.3-fosscuda-2019b, GROMACS/2019.4-foss-2019b, GROMACS/2019.5-fosscuda-2019b

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.
GSL

GSL/2.6-GCC-8.3.0, GSL/2.6-GCC-9.3.0, GSL/2.6-GCC-10.2.0, GSL/2.7-GCC-10.3.0

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.

GTK+

GTK+/3.24.8-GCCcore-8.2.0, GTK+/3.24.13-GCCcore-8.3.0

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.

Gdk-Pixbuf

Gdk-Pixbuf/2.38.1-GCCcore-8.2.0, Gdk-Pixbuf/2.38.2-GCCcore-8.3.0

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.

Geant4

Geant4/10.6-foss-2019b, Geant4/10.7.1-GCC-10.2.0

Geant4 is a toolkit for the simulation of the passage of particles through matter. Its areas of application include high energy, nuclear and accelerator physics, as well as studies in medical and space science.

Geant4-data

Geant4-data/20201103, Geant4-data/20210510

Datasets for Geant4.
Ghostscript

Ghostscript/9.50-GCCcore-8.3.0, Ghostscript/9.52-GCCcore-9.3.0, Ghostscript/9.53.3-GCCcore-10.2.0, Ghostscript/9.54.0-GCCcore-10.3.0

Ghostscript is a versatile processor for PostScript data with the ability to render PostScript to different targets. 

GraphicsMagick

GraphicsMagick/1.3.34-foss-2019b

GraphicsMagick is the swiss army knife of image processing.

GtkSourceView

GtkSourceView/3.24.11-GCCcore-8.3.0, GtkSourceView/4.4.0-GCCcore-8.3.0

GtkSourceView is a GNOME library that extends GtkTextView, the standard GTK+ widget for multiline text editing. GtkSourceView adds support for syntax highlighting, undo/redo, file loading and saving, search and replace, a completion system, printing, displaying line numbers, and other features typical of a source code editor.

HDF

HDF/4.2.15-GCCcore-10.2.0, HDF/4.2.15-GCCcore-10.3.0

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

HDF5

HDF5/1.10.5-gompi-2019a, HDF5/1.10.5-gompi-2019b-serial, HDF5/1.10.5-gompi-2019b, HDF5/1.10.5-gompic-2019a, HDF5/1.10.5-gompic-2019b, HDF5/1.10.6-gompi-2020a

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.

 

HH-suite

HH-suite/3.2.0-foss-2019b

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

Hadoop

Hadoop/2.9.2-GCCcore-8.3.0-native

Hadoop MapReduce by Cloudera.

HarfBuzz

HarfBuzz/2.4.0-GCCcore-8.2.0, HarfBuzz/2.6.4-GCCcore-8.3.0, HarfBuzz/2.8.1-GCCcore-10.3.0

HarfBuzz is an OpenType text shaping engine.

ICU

ICU/64.2-GCCcore-8.2.0, ICU/64.2-GCCcore-8.3.0, ICU/65.1-GCCcore-8.3.0, ICU/66.1-GCCcore-9.3.0, ICU/67.1-GCCcore-10.2.0, ICU/69.1-GCCcore-10.3.0

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

IMatlab

IMatlab/0.4-foss-2019b-Python-3.7.4

A Jupyter kernel for MATLAB.

IPython

IPython/5.8.0-foss-2019b-Python-2.7.16, IPython/7.9.0-foss-2019b-Python-3.7.4, IPython/7.9.0-fosscuda-2019b-Python-3.7.4, IPython/7.18.1-GCCcore-10.2.0

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

IRkernel

IRkernel/1.1-foss-2019b-R-3.6.2-Python-3.7.4

The R kernel for the 'Jupyter' environment executes R code which the front-end (Jupyter Notebook or other front-ends) submits to the kernel via the network.

ImageMagick

ImageMagick/7.0.9-5-GCCcore-8.3.0, ImageMagick/7.0.10-1-GCCcore-9.3.0, ImageMagick/7.0.10-35-GCCcore-10.2.0, ImageMagick/7.0.11-14-GCCcore-10.3.0

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

JasPer

JasPer/2.0.14-GCCcore-8.2.0, JasPer/2.0.14-GCCcore-8.3.0, JasPer/2.0.14-GCCcore-9.3.0, JasPer/2.0.24-GCCcore-10.2.0, JasPer/2.0.28-GCCcore-10.3.0

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.

Java

Java/1.8.0_192, Java/1.8.0_281, Java/11.0.2

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

JsonCpp

JsonCpp/1.9.3-GCCcore-8.3.0, JsonCpp/1.9.4-GCCcore-10.2.0, JsonCpp/1.9.4-GCCcore-10.3.0

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

JupyterLab

JupyterLab/3.1.6-GCCcore-11.2.0

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

LAME

LAME/3.100-GCCcore-8.2.0, LAME/3.100-GCCcore-8.3.0, LAME/3.100-GCCcore-9.3.0, LAME/3.100-GCCcore-10.2.0, LAME/3.100-GCCcore-10.3.0

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

LAMMPS

LAMMPS/3Mar20-foss-2019b-Python-3.7.4-omp, LAMMPS/3Mar20-foss-2019b-Python-3.7.4, LAMMPS/7Aug19-foss-2019b-Python-3.7.4-omp

LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) is a classical molecular dynamics simulation code designed to run efficiently on parallel computers.

LLVM

LLVM/7.0.1-GCCcore-8.2.0, LLVM/9.0.0-GCCcore-8.3.0, LLVM/9.0.1-GCCcore-9.3.0, LLVM/11.0.0-GCCcore-10.2.0, LLVM/11.1.0-GCCcore-10.3.0

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.

LMDB

LMDB/0.9.24-GCCcore-8.3.0, LMDB/0.9.24-GCCcore-10.2.0, LMDB/0.9.28-GCCcore-10.3.0

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

LibTIFF

LibTIFF/4.0.10-GCCcore-8.2.0, LibTIFF/4.0.10-GCCcore-8.3.0, LibTIFF/4.1.0-GCCcore-9.3.0, LibTIFF/4.1.0-GCCcore-10.2.0, LibTIFF/4.2.0-GCCcore-10.3.0

Library and tools for reading and writing TIFF data files.

LittleCMS

LittleCMS/2.9-GCCcore-8.3.0, LittleCMS/2.9-GCCcore-9.3.0, LittleCMS/2.11-GCCcore-10.2.0, LittleCMS/2.12-GCCcore-10.3.0

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

Lua

Lua/5.1.5-GCCcore-8.3.0, Lua/5.4.3-GCCcore-10.3.0

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.

M4

M4/1.4.17, M4/1.4.18-GCCcore-8.2.0, M4/1.4.18-GCCcore-8.3.0, M4/1.4.18-GCCcore-9.3.0, M4/1.4.18-GCCcore-10.2.0, M4/1.4.18-GCCcore-10.3.0, M4/1.4.18

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.

METIS

METIS/5.1.0-GCCcore-8.3.0, METIS/5.1.0-GCCcore-10.3.0

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.

MMseqs2

MMseqs2/10-6d92c-gompi-2019b

An ultra fast and sensitive search and clustering suite.

MPFR

MPFR/4.0.2-GCCcore-8.3.0, MPFR/4.1.0-GCCcore-10.3.0

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

Mako

Mako/1.0.8-GCCcore-8.2.0, Mako/1.1.0-GCCcore-8.3.0, Mako/1.1.2-GCCcore-9.3.0, Mako/1.1.3-GCCcore-10.2.0, Mako/1.1.4-GCCcore-10.3.0

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

Maven

Maven/3.6.3

Apache Maven is a software project management and comprehension tool. 

Mesa

Mesa/19.0.1-GCCcore-8.2.0, Mesa/19.1.7-GCCcore-8.3.0, Mesa/20.0.2-GCCcore-9.3.0, Mesa/20.2.1-GCCcore-10.2.0, Mesa/21.1.1-GCCcore-10.3.0

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

Meson

Meson/0.50.0-GCCcore-8.2.0-Python-3.7.2, Meson/0.51.2-GCCcore-8.3.0-Python-3.7.4, Meson/0.55.1-GCCcore-9.3.0-Python-3.8.2, Meson/0.55.3-GCCcore-10.2.0

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

NASM

NASM/2.14.02-GCCcore-8.2.0, NASM/2.14.02-GCCcore-8.3.0, NASM/2.14.02-GCCcore-9.3.0, NASM/2.15.05-GCCcore-10.2.0, NASM/2.15.05-GCCcore-10.3.0

General-purpose x86 assembler.

NCCL

NCCL/2.4.2-gcccuda-2019a, NCCL/2.4.8-gcccuda-2019b, NCCL/2.8.3-CUDA-11.1.1, NCCL/2.8.3-GCCcore-10.2.0-CUDA-11.1.1, NCCL/2.10.3-GCCcore-10.3.0-CUDA-11.3.1

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

NLopt

NLopt/2.6.1-GCCcore-8.3.0, NLopt/2.6.1-GCCcore-9.3.0, NLopt/2.6.2-GCCcore-10.2.0, NLopt/2.7.0-GCCcore-10.3.0

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

NSPR

NSPR/4.21-GCCcore-8.3.0, NSPR/4.25-GCCcore-9.3.0, NSPR/4.30-GCCcore-10.3.0

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

NSS

NSS/3.45-GCCcore-8.3.0, NSS/3.51-GCCcore-9.3.0, NSS/3.65-GCCcore-10.3.0

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

Ninja

Ninja/1.9.0-GCCcore-8.2.0, Ninja/1.9.0-GCCcore-8.3.0, Ninja/1.10.0-GCCcore-9.3.0, Ninja/1.10.1-GCCcore-10.2.0, Ninja/1.10.2-GCCcore-10.3.0

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

Octave

Octave/5.1.0-foss-2019b

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

OpenBLAS

OpenBLAS/0.3.5-GCC-8.2.0-2.31.1, OpenBLAS/0.3.7-GCC-8.3.0, OpenBLAS/0.3.9-GCC-9.3.0, OpenBLAS/0.3.12-GCC-10.2.0, OpenBLAS/0.3.15-GCC-10.3.0

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

OpenCV

OpenCV/4.1.2-fosscuda-2019a-Python-3.7.2, OpenCV/4.2.0-fosscuda-2019b-Python-3.7.4

OpenCV (Open Source Computer Vision Library) is an open source computer vision and machine learning software library. OpenCV was built to provide a common infrastructure for computer vision applications and to accelerate the use of machine perception in the commercial products.

OpenFOAM

OpenFOAM/v1906-foss-2019b, OpenFOAM/v2106-foss-2021a

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.

OpenMPI

OpenMPI/3.1.3-GCC-8.2.0-2.31.1, OpenMPI/3.1.3-gcccuda-2019a, OpenMPI/3.1.4-GCC-8.3.0, OpenMPI/3.1.4-gcccuda-2019b, OpenMPI/4.0.3-GCC-9.3.0

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

OpenPGM

OpenPGM/5.2.122-GCCcore-8.3.0, OpenPGM/5.2.122-GCCcore-10.2.0, OpenPGM/5.2.122-GCCcore-10.3.0, OpenPGM/5.2.122-GCCcore-11.2.0

OpenPGM is an open source implementation of the Pragmatic General Multicast (PGM) specification in RFC 3208 available at www.ietf.org. PGM is a reliable and scalable multicast protocol that enables receivers to detect loss, request retransmission of lost data, or notify an application of unrecoverable loss. PGM is a receiver-reliable protocol, which means the receiver is responsible for ensuring all data is received, absolving the sender of reception responsibility.

OpenSSL

OpenSSL/1.1

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.

OptiX

OptiX/6.5.0

OptiX is NVIDIA SDK for easy ray tracing performance. It provides a simple framework for accessing the GPU\u2019s massive ray tracing power using state-of-the-art GPU algorithms.

PCRE

PCRE/8.43-GCCcore-8.2.0, PCRE/8.43-GCCcore-8.3.0, PCRE/8.44-GCCcore-9.3.0, PCRE/8.44-GCCcore-10.2.0, PCRE/8.44-GCCcore-10.3.0

The PCRE library is a set of functions that implement regular expression pattern matching using the same syntax and semantics as Perl 5.

PLUMED

PLUMED/2.6.2-foss-2020b

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.

PMIx

PMIx/3.1.5-GCCcore-9.3.0, PMIx/3.1.5-GCCcore-10.2.0, PMIx/3.2.3-GCCcore-10.3.0

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. 

POV-Ray

POV-Ray/3.7.0.8-GCC-10.2.0

The Persistence of Vision Raytracer, or POV-Ray, is a ray tracing program which generates images from a text-based scene description, and is available for a variety of computer platforms. 

PROJ

PROJ/7.2.1-GCCcore-10.2.0, PROJ/8.0.1-GCCcore-10.3.0

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

Pango

Pango/1.43.0-GCCcore-8.2.0, Pango/1.44.7-GCCcore-8.3.0, Pango/1.48.5-GCCcore-10.3.0

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.

ParaView

ParaView/5.6.2-foss-2019b-Python-3.7.4-mpi, ParaView/5.8.0-foss-2020a-Python-3.8.2-mpi, ParaView/5.9.1-foss-2021a-mpi

ParaView is a scientific parallel visualizer.

Pillow

Pillow/8.0.1-GCCcore-10.2.0, Pillow/8.2.0-GCCcore-10.3.0

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

PyYAML

PyYAML/5.1.2-GCCcore-8.3.0

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

Python

Python/2.7.15-GCCcore-8.2.0, Python/2.7.16-GCCcore-8.3.0, Python/2.7.18-GCCcore-9.3.0, Python/2.7.18-GCCcore-10.2.0, Python/2.7.18-GCCcore-10.3.0-bare

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

Qhull

Qhull/2019.1-GCCcore-8.3.0, Qhull/2020.2-GCCcore-10.3.0

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.

Qt5

Qt5/5.13.1-GCCcore-8.3.0, Qt5/5.14.1-GCCcore-9.3.0, Qt5/5.15.2-GCCcore-10.3.0

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

R

R/3.6.2-foss-2019b, R/4.0.0-foss-2020a, R/4.1.0-foss-2021a

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

RStudio

RStudio/1.2.5033-foss-2019b-server, RStudio/1.3.1073-foss-2020a-server

RStudio Server enables you to provide a browser based interface to a version of R running on a remote Linux server, bringing the power and productivity of the RStudio IDE to server-based deployments of R.

Rust

Rust/1.52.1-GCCcore-10.3.0, Rust/1.54.0-GCCcore-11.2.0

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

SAGEMath

SAGEMath/9.0

SageMath is a free open-source mathematics software system.

SCOTCH

SCOTCH/6.0.9-gompi-2019b, SCOTCH/6.1.0-gompi-2021a

Software package and libraries for sequential and parallel graph partitioning, static mapping, and sparse matrix block ordering, and sequential mesh and hypergraph partitioning.

SCons

SCons/3.1.1-GCCcore-8.3.0, SCons/3.1.2-GCCcore-9.3.0

SCons is a software construction tool.

SDL2

SDL2/2.0.14-GCCcore-10.2.0

Simple DirectMedia Layer, a cross-platform multimedia library.

SQLite

SQLite/3.27.2-GCCcore-8.2.0, SQLite/3.29.0-GCCcore-8.3.0, SQLite/3.31.1-GCCcore-9.3.0, SQLite/3.33.0-GCCcore-10.2.0, SQLite/3.35.4-GCCcore-10.3.0

SQL Database Engine in a C Library.

SWIG

SWIG/4.0.1-GCCcore-8.3.0

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

SciPy-bundle

SciPy-bundle/2019.03-foss-2019a, SciPy-bundle/2019.03-fosscuda-2019a, SciPy-bundle/2019.10-foss-2019b-Python-2.7.16

Bundle of Python packages for scientific software.

Spark

Spark/3.0.0-foss-2019b-Python-3.7.4

Spark is Hadoop MapReduce done in memory.

SuiteSparse

SuiteSparse/5.6.0-foss-2019b-METIS-5.1.0

SuiteSparse is a collection of libraries manipulate sparse matrices.

Szip

Szip/2.1.1-GCCcore-8.2.0, Szip/2.1.1-GCCcore-8.3.0, Szip/2.1.1-GCCcore-9.3.0, Szip/2.1.1-GCCcore-10.2.0, Szip/2.1.1-GCCcore-10.3.0

Szip compression software, providing lossless compression of scientific data.

TeXLive

TeXLive/2019

TeX Live is an easy (we hope) way to get up and running with the TeX document production system.

TensorFlow

TensorFlow/1.13.1-foss-2019a-Python-3.7.2, TensorFlow/1.13.1-fosscuda-2019a-Python-3.7.2, TensorFlow/2.0.0-foss-2019b-Python-3.7.4

An open-source software library for Machine Intelligence.

Theano

Theano/1.0.4-foss-2019b-Python-3.7.4

Theano is a Python library that allows you to define, optimize, and evaluate mathematical expressions involving multi-dimensional arrays efficiently.

Tk

Tk/8.6.9-GCCcore-8.3.0, Tk/8.6.10-GCCcore-9.3.0, Tk/8.6.10-GCCcore-10.2.0, Tk/8.6.11-GCCcore-10.3.0

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.

UCX

UCX/1.8.0-GCCcore-9.3.0, UCX/1.9.0-GCCcore-10.2.0-CUDA-11.1.1, UCX/1.9.0-GCCcore-10.2.0, UCX/1.10.0-GCCcore-10.3.0

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

UDUNITS

UDUNITS/2.2.26-foss-2020a, UDUNITS/2.2.26-GCCcore-8.3.0, UDUNITS/2.2.26-GCCcore-9.3.0, UDUNITS/2.2.26-GCCcore-10.2.0, UDUNITS/2.2.28-GCCcore-10.3.0

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

UnZip

UnZip/6.0-GCCcore-9.3.0, UnZip/6.0-GCCcore-10.2.0, UnZip/6.0-GCCcore-10.3.0, UnZip/6.0-GCCcore-11.2.0

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.

VMD

VMD/1.9.4a51-foss-2020b, VMD/1.9.4a51-fosscuda-2020b

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

VTK

VTK/8.2.0-foss-2019b-Python-2.7.16, VTK/8.2.0-foss-2019b-Python-3.7.4, VTK/9.0.1-foss-2020b

The Visualization Toolkit (VTK) is an open-source, freely available software system for 3D computer graphics, image processing and visualization.

Voro++

Voro++/0.4.6-GCCcore-10.2.0

Voro++ is a software library for carrying out three-dimensional computations of the Voronoi tessellation.

WRF

WRF/4.1.5-foss-2019b-dmpar

The Weather Research and Forecasting (WRF) Model is a next-generation mesoscale numerical weather prediction system designed to serve both operational forecasting and atmospheric research needs.

Xvfb

Xvfb/1.20.9-GCCcore-9.3.0, Xvfb/1.20.9-GCCcore-10.2.0, Xvfb/1.20.11-GCCcore-10.3.0

Xvfb is an X server that can run on machines with no display hardware and no physical input devices. It emulates a dumb framebuffer using virtual memory.

ZeroMQ

ZeroMQ/4.3.2-GCCcore-8.3.0, ZeroMQ/4.3.3-GCCcore-10.2.0, ZeroMQ/4.3.4-GCCcore-10.3.0, ZeroMQ/4.3.4-GCCcore-11.2.0

ZeroMQ looks like an embeddable networking library but acts like a concurrency framework. It gives you sockets that carry atomic messages across various transports like in-process, inter-process, TCP, and multicast.

Zip

Zip/3.0-GCCcore-8.2.0, Zip/3.0-GCCcore-8.3.0, Zip/3.0-GCCcore-10.2.0, Zip/3.0-GCCcore-10.3.0

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.

ant

ant/1.10.7-Java-11, ant/1.10.8-Java-11

Apache Ant is a Java library and command-line tool whose mission is to drive processes described in build files as targets and extension points dependent upon each  other. The main known usage of Ant is the build of Java applications.

archspec

archspec/0.1.2-GCCcore-10.2.0

A library for detecting, labeling, and reasoning about microarchitectures

arpack-ng

arpack-ng/3.7.0-foss-2019b

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

binutils

binutils/2.27, binutils/2.30, binutils/2.31.1-GCCcore-8.2.0, binutils/2.31.1, binutils/2.32-GCCcore-8.3.0, binutils/2.32, binutils/2.34-GCCcore-9.3.0

GNU binary utilities.

bzip2

bzip2/1.0.6-GCCcore-8.2.0, bzip2/1.0.8-GCCcore-8.3.0, bzip2/1.0.8-GCCcore-9.3.0, bzip2/1.0.8-GCCcore-10.2.0, bzip2/1.0.8-GCCcore-10.3.0

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.

cURL

cURL/7.63.0-GCCcore-8.2.0, cURL/7.66.0-GCCcore-8.3.0, cURL/7.69.1-GCCcore-9.3.0, cURL/7.72.0-GCCcore-10.2.0, cURL/7.76.0-GCCcore-10.3.0,

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.

cairo

cairo/1.16.0-GCCcore-8.2.0, cairo/1.16.0-GCCcore-8.3.0, cairo/1.16.0-GCCcore-9.3.0, cairo/1.16.0-GCCcore-10.2.0, cairo/1.16.0-GCCcore-10.3.0

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.

cppy

cppy/1.1.0-GCCcore-10.3.0

A small C++ header library which makes it easier to write Python extension modules. 

cuDNN

cuDNN/7.6.4.38-gcccuda-2019a, cuDNN/7.6.4.38-gcccuda-2019b, cuDNN/8.0.4.30-CUDA-11.1.1, cuDNN/8.2.1.32-CUDA-11.3.1

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

expat

expat/2.2.6-GCCcore-8.2.0, expat/2.2.7-GCCcore-8.3.0, expat/2.2.9-GCCcore-9.3.0, expat/2.2.9-GCCcore-10.2.0, expat/2.2.9-GCCcore-10.3.0

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).

flatbuffers

flatbuffers/1.12.0-GCCcore-8.3.0, flatbuffers/1.12.0-GCCcore-10.2.0, flatbuffers/2.0.0-GCCcore-10.3.0

Memory Efficient Serialization Library.

flex

flex/2.6.0, flex/2.6.4-GCCcore-8.2.0, flex/2.6.4-GCCcore-8.3.0, flex/2.6.4-GCCcore-9.3.0, flex/2.6.4-GCCcore-10.2.0, flex/2.6.4-GCCcore-10.3.0

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.

fontconfig

fontconfig/2.13.1-GCCcore-8.2.0, fontconfig/2.13.1-GCCcore-8.3.0, fontconfig/2.13.92-GCCcore-9.3.0, fontconfig/2.13.92-GCCcore-10.2.0

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

foss

foss/2019a, foss/2019b, foss/2020a, foss/2020b, foss/2021a

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

freeglut

freeglut/3.2.1-GCCcore-8.3.0

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

freetype

freetype/2.9.1-GCCcore-8.2.0, freetype/2.10.1-GCCcore-8.3.0, freetype/2.10.1-GCCcore-9.3.0, freetype/2.10.3-GCCcore-10.2.0, freetype/2.10.4-GCCcore-10.3.0

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.

gcccuda

gcccuda/2019a, gcccuda/2019b, gcccuda/2020b

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

gettext

gettext/0.19.8.1-GCCcore-8.2.0, gettext/0.19.8.1, gettext/0.20.1-GCCcore-8.3.0, gettext/0.20.1-GCCcore-9.3.0, gettext/0.20.1, gettext/0.21-GCCcore-10.2.0

GNU 'gettext' is an important step for the GNU Translation Project, as it is an asset on which we may build many other steps. 

giflib

giflib/5.2.1-GCCcore-8.3.0, giflib/5.2.1-GCCcore-10.2.0, giflib/5.2.1-GCCcore-10.3.0

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.

git

git/2.23.0-GCCcore-8.3.0-nodocs, git/2.23.0-GCCcore-9.3.0-nodocs, git/2.28.0-GCCcore-10.2.0-nodocs, git/2.32.0-GCCcore-10.3.0-nodocs

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.

gnuplot

gnuplot/5.2.8-GCCcore-8.3.0, gnuplot/5.4.2-GCCcore-10.3.0

Portable interactive, function plotting utility package.

gompi

gompi/2019a, gompi/2019b, gompi/2020a, gompi/2020b, gompi/2021a

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

gompic

gompic/2019a, gompic/2019b, gompic/2020b

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

gperf

gperf/3.1-GCCcore-8.2.0, gperf/3.1-GCCcore-8.3.0, gperf/3.1-GCCcore-9.3.0, gperf/3.1-GCCcore-10.2.0, gperf/3.1-GCCcore-10.3.0

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.

groff

groff/1.22.4-GCCcore-8.3.0, groff/1.22.4-GCCcore-9.3.0, groff/1.22.4-GCCcore-10.2.0, groff/1.22.4-GCCcore-10.3.0, groff/1.22.4-GCCcore-11.2.0

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

gzip

gzip/1.10-GCCcore-8.3.0, gzip/1.10-GCCcore-9.3.0, gzip/1.10-GCCcore-10.2.0, gzip/1.10-GCCcore-10.3.0

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

h5py

h5py/2.9.0-foss-2019a, h5py/2.9.0-fosscuda-2019a, h5py/2.10.0-foss-2019b-Python-3.7.4, h5py/2.10.0-fosscuda-2019b-Python-3.7.4

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.

help2man

help2man/1.47.4, help2man/1.47.7-GCCcore-8.2.0, help2man/1.47.8-GCCcore-8.3.0, help2man/1.47.12-GCCcore-9.3.0, help2man/1.47.16-GCCcore-10.2.0

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

hwloc

hwloc/1.11.11-GCCcore-8.2.0, hwloc/1.11.12-GCCcore-8.3.0, hwloc/2.2.0-GCCcore-9.3.0, hwloc/2.2.0-GCCcore-10.2.0, hwloc/2.4.1-GCCcore-10.3.0

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.

hypothesis

hypothesis/5.41.2-GCCcore-10.2.0, hypothesis/6.13.1-GCCcore-10.3.0

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.

iimpi

iimpi/2021a

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

imkl

imkl/2021.2.0-iimpi-2021a, imkl/2021.2.0-iompi-2021a

Intel oneAPI Math Kernel Library.

impi

impi/2021.2.0-intel-compilers-2021.2.0

Intel MPI Library, compatible with MPICH ABI.

intel

intel/2021a

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

intel-compilers

intel-compilers/2021.2.0

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

intltool

intltool/0.51.0-GCCcore-8.2.0, intltool/0.51.0-GCCcore-8.3.0, intltool/0.51.0-GCCcore-9.3.0, intltool/0.51.0-GCCcore-10.2.0, intltool/0.51.0-GCCcore-10.3.0

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

iomkl

iomkl/2021a

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

iompi

iompi/2021a

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

jbigkit

jbigkit/2.1-GCCcore-9.3.0, jbigkit/2.1-GCCcore-10.2.0, jbigkit/2.1-GCCcore-10.3.0

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.

kim-api

kim-api/2.2.1-GCCcore-10.2.0

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. 

libGLU

libGLU/9.0.1-GCCcore-8.3.0, libGLU/9.0.1-GCCcore-9.3.0, libGLU/9.0.1-GCCcore-10.2.0, libGLU/9.0.1-GCCcore-10.3.0

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

libarchive

libarchive/3.4.3-GCCcore-10.2.0, libarchive/3.5.1-GCCcore-10.3.0, libarchive/3.5.1-GCCcore-11.2.0

Multi-format archive and compression library.

libcerf

libcerf/1.13-GCCcore-8.3.0, libcerf/1.17-GCCcore-10.3.0

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.

libdrm

libdrm/2.4.97-GCCcore-8.2.0, libdrm/2.4.99-GCCcore-8.3.0, libdrm/2.4.100-GCCcore-9.3.0, libdrm/2.4.102-GCCcore-10.2.0, libdrm/2.4.106-GCCcore-10.3.0

Direct Rendering Manager runtime library. 

libepoxy 

libepoxy/1.5.3-GCCcore-8.2.0, libepoxy/1.5.4-GCCcore-8.3.0

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

libevent

libevent/2.1.11-GCCcore-8.3.0, libevent/2.1.11-GCCcore-9.3.0, libevent/2.1.12-GCCcore-10.2.0, libevent/2.1.12-GCCcore-10.3.0

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.

libfabric

libfabric/1.11.0-GCCcore-9.3.0, libfabric/1.11.0-GCCcore-10.2.0, libfabric/1.12.1-GCCcore-10.3.0

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.

libffi

libffi/3.2.1-GCCcore-8.2.0, libffi/3.2.1-GCCcore-8.3.0, libffi/3.3-GCCcore-9.3.0, libffi/3.3-GCCcore-10.2.0, libffi/3.3-GCCcore-10.3.0

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.

libgd

libgd/2.2.5-GCCcore-8.3.0, libgd/2.3.1-GCCcore-10.3.0

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

libgeotiff 

libgeotiff/1.6.0-GCCcore-10.2.0, libgeotiff/1.6.0-GCCcore-10.3.0

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

libgit2

libgit2/1.1.0-GCCcore-10.3.0

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.

libglvnd

libglvnd/1.2.0-GCCcore-8.3.0, libglvnd/1.2.0-GCCcore-9.3.0, libglvnd/1.3.2-GCCcore-10.2.0, libglvnd/1.3.3-GCCcore-10.3.0

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

libiconv

libiconv/1.16-GCCcore-8.3.0, libiconv/1.16-GCCcore-9.3.0, libiconv/1.16-GCCcore-10.2.0, libiconv/1.16-GCCcore-10.3.0

Libiconv converts from one character encoding to another through Unicode conversion.

libjpeg-turbo

libjpeg-turbo/2.0.2-GCCcore-8.2.0, libjpeg-turbo/2.0.3-GCCcore-8.3.0, libjpeg-turbo/2.0.4-GCCcore-9.3.0, libjpeg-turbo/2.0.5-GCCcore-10.2.0

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.

libogg

libogg/1.3.4-GCCcore-10.2.0, libogg/1.3.4-GCCcore-10.3.0

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

libpng

libpng/1.6.36-GCCcore-8.2.0, libpng/1.6.37-GCCcore-8.3.0, libpng/1.6.37-GCCcore-9.3.0, libpng/1.6.37-GCCcore-10.2.0, libpng/1.6.37-GCCcore-10.3.0

libpng is the official PNG reference library.

libreadline

libreadline/8.0-GCCcore-8.2.0, libreadline/8.0-GCCcore-8.3.0, libreadline/8.0-GCCcore-9.3.0, libreadline/8.0-GCCcore-10.2.0

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.

libsndfile

libsndfile/1.0.28-GCCcore-8.3.0, libsndfile/1.0.28-GCCcore-9.3.0, libsndfile/1.0.28-GCCcore-10.2.0, libsndfile/1.0.31-GCCcore-10.3.0

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

libsodium

libsodium/1.0.18-GCCcore-8.3.0, libsodium/1.0.18-GCCcore-10.2.0, libsodium/1.0.18-GCCcore-10.3.0, libsodium/1.0.18-GCCcore-11.2.0

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

libtirpc

libtirpc/1.3.1-GCCcore-10.2.0, libtirpc/1.3.2-GCCcore-10.3.0

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

libtool

libtool/2.4.6-GCCcore-8.2.0, libtool/2.4.6-GCCcore-8.3.0, libtool/2.4.6-GCCcore-9.3.0, libtool/2.4.6-GCCcore-10.2.0, libtool/2.4.6-GCCcore-10.3.0

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

libunwind

libunwind/1.3.1-GCCcore-8.2.0, libunwind/1.3.1-GCCcore-8.3.0, libunwind/1.3.1-GCCcore-9.3.0, libunwind/1.4.0-GCCcore-10.2.0, libunwind/1.4.0-GCCcore-10.3.0

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.

libvorbis

libvorbis/1.3.7-GCCcore-10.2.0, libvorbis/1.3.7-GCCcore-10.3.0

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

libxml2

libxml2/2.9.8-GCCcore-8.2.0, libxml2/2.9.9-GCCcore-8.3.0, libxml2/2.9.10-GCCcore-9.3.0, libxml2/2.9.10-GCCcore-10.2.0, libxml2/2.9.10-GCCcore-10.3.0

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

libyaml

libyaml/0.2.2-GCCcore-8.3.0

LibYAML is a YAML parser and emitter written in C.

lz4

lz4/1.9.2-GCCcore-9.3.0, lz4/1.9.2-GCCcore-10.2.0, lz4/1.9.3-GCCcore-10.3.0

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.

make

make/4.3-GCCcore-10.2.0

GNU version of make utility.

makeinfo

makeinfo/6.7-GCCcore-8.3.0, makeinfo/6.7-GCCcore-9.3.0-minimal, makeinfo/6.7-GCCcore-10.2.0-minimal, makeinfo/6.7-GCCcore-10.2.0

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.

matplotlib

matplotlib/2.2.5-foss-2019b-Python-2.7.16, matplotlib/3.1.1-foss-2019b-Python-3.7.4, matplotlib/3.1.1-fosscuda-2019b-Python-3.7.4

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.

molmod

molmod/1.4.8-foss-2020b

MolMod is a Python library with many compoments that are useful to write molecular modeling programs.

ncurses

ncurses/6.0, ncurses/6.1-GCCcore-8.2.0, ncurses/6.1-GCCcore-8.3.0, ncurses/6.1, ncurses/6.2-GCCcore-9.3.0, ncurses/6.2-GCCcore-10.2.0

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.

netCDF

netCDF/4.7.1-gompi-2019b, netCDF/4.7.4-gompi-2020a, netCDF/4.7.4-gompi-2020b, netCDF/4.7.4-gompic-2020b, netCDF/4.8.0-gompi-2021a

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.

netCDF-Fortran

netCDF-Fortran/4.5.2-gompi-2019b, netCDF-Fortran/4.5.3-gompi-2020b, netCDF-Fortran/4.5.3-gompic-2020b

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.

nettle

nettle/3.4.1-GCCcore-8.2.0, nettle/3.5.1-GCCcore-8.3.0, nettle/3.6-GCCcore-9.3.0, nettle/3.6-GCCcore-10.2.0, nettle/3.7.2-GCCcore-10.3.0

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.

networkx

networkx/2.5.1-foss-2021a

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

nodejs

nodejs/12.19.0-GCCcore-10.2.0, nodejs/14.17.0-GCCcore-10.3.0

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.

nsync

nsync/1.24.0-GCCcore-8.3.0, nsync/1.24.0-GCCcore-10.2.0, nsync/1.24.0-GCCcore-10.3.0

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

numactl

numactl/2.0.12-GCCcore-8.2.0, numactl/2.0.12-GCCcore-8.3.0, numactl/2.0.13-GCCcore-9.3.0, numactl/2.0.13-GCCcore-10.2.0, numactl/2.0.14-GCCcore-10.3.0

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.

packmol

packmol/20.2.2-GCC-10.2.0

Packing Optimization for Molecular Dynamics Simulations.

pixman

pixman/0.38.0-GCCcore-8.2.0, pixman/0.38.4-GCCcore-8.3.0, pixman/0.38.4-GCCcore-9.3.0, pixman/0.40.0-GCCcore-10.2.0, pixman/0.40.0-GCCcore-10.3.0

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.

pkgconfig

pkgconfig/1.5.1-GCCcore-8.2.0-python, pkgconfig/1.5.1-GCCcore-8.3.0-Python-3.7.4, pkgconfig/1.5.1-GCCcore-10.2.0-python

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

protobuf-python

protobuf-python/3.10.0-foss-2019b-Python-3.7.4, protobuf-python/3.10.0-fosscuda-2019b-Python-3.7.4, protobuf-python/3.14.0-GCCcore-10.2.0

Python Protocol Buffers runtime library.

pybind11

pybind11/2.4.3-GCCcore-8.3.0-Python-3.7.4, pybind11/2.4.3-GCCcore-9.3.0-Python-3.8.2, pybind11/2.6.0-GCCcore-10.2.0, pybind11/2.6.2-GCCcore-10.3.0

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.

qrupdate

qrupdate/1.1.2-GCCcore-8.3.0

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

re2c

re2c/1.2.1-GCCcore-8.3.0, re2c/1.3-GCCcore-9.3.0, re2c/2.1.1-GCCcore-10.3.0

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.

scikit-build

scikit-build/0.11.1-GCCcore-10.3.0

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

scipy

scipy/1.4.1-foss-2019b-Python-3.7.4, scipy/1.4.1-fosscuda-2019b-Python-3.7.4

SciPy is a collection of mathematical algorithms and convenience functions built on the Numpy extension for Python.

snappy

snappy/1.1.7-GCCcore-8.3.0, snappy/1.1.8-GCCcore-9.3.0, snappy/1.1.8-GCCcore-10.2.0, snappy/1.1.8-GCCcore-10.3.0

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.

tbb

tbb/2020.3-GCCcore-10.2.0

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.

tcsh

tcsh/6.22.02-GCCcore-8.3.0

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.

texinfo

texinfo/6.7-GCCcore-8.3.0

Texinfo is the official documentation format of the GNU project.

time

time/1.9-GCCcore-8.3.0

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.

typing-extensions

typing-extensions/3.7.4.3-GCCcore-10.2.0, typing-extensions/3.10.0.0-GCCcore-10.3.0

Typing Extensions \u2013 Backported and Experimental Type Hints for Python.

util-linux

util-linux/2.33-GCCcore-8.2.0, util-linux/2.34-GCCcore-8.3.0, util-linux/2.35-GCCcore-9.3.0, util-linux/2.36-GCCcore-10.2.0

Set of Linux utilities.

x264

x264/20190413-GCCcore-8.2.0, x264/20190925-GCCcore-8.3.0, x264/20191217-GCCcore-9.3.0, x264/20201026-GCCcore-10.2.0, x264/20210414-GCCcore-10.3.0

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.

x265

x265/3.0-GCCcore-8.2.0, x265/3.2-GCCcore-8.3.0, x265/3.3-GCCcore-9.3.0, x265/3.3-GCCcore-10.2.0, x265/3.5-GCCcore-10.3.0

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.

xorg-macros

xorg-macros/1.19.2-GCCcore-8.2.0, xorg-macros/1.19.2-GCCcore-8.3.0, xorg-macros/1.19.2-GCCcore-9.3.0, xorg-macros/1.19.2-GCCcore-10.2.0

X.org macros utilities.

xprop

xprop/1.2.4-GCCcore-8.3.0, xprop/1.2.5-GCCcore-10.2.0

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.

yaff

yaff/1.6.0-foss-2020b

Yaff stands for 'Yet another force field'. It is a pythonic force-field code.

zlib

zlib/1.2.8, zlib/1.2.11-GCCcore-8.2.0, zlib/1.2.11-GCCcore-8.3.0, zlib/1.2.11-GCCcore-9.3.0, zlib/1.2.11-GCCcore-10.2.0, zlib/1.2.11-GCCcore-10.3.0

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.

zstd

zstd/1.4.4-GCCcore-9.3.0, zstd/1.4.5-GCCcore-10.2.0, zstd/1.4.9-GCCcore-10.3.0

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.