SoftwareModules
Modules Barbora2
Ai
| Module | Description |
|---|---|
| GKlib-METIS | A library of various helper routines and frameworks used by many of the lab’s software |
Cae
| Module | Description |
|---|---|
| OpenFOAM | OpenFOAM is a free, open source CFD software package. OpenFOAM has an extensive range of features to solve anything from complex fluid flows involving chemical reactions, turbulence and heat transfer, to solid dynamics and electromagnetics. |
Chem
| Module | Description |
|---|---|
| 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. |
| 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. |
| mstore | Molecular structure store for testing |
| OpenMolcas | OpenMolcas is a quantum chemistry software package. |
| 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). |
| VASP | The Vienna Ab initio Simulation Package (VASP) is a local computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles. To use VASP, you need an academic license from University of Vienna. Follow the instructions at https://www.vasp.at/index.php/faqs. Please send us a list of authorized users and their IDs for which you need access (use only http://support.it4i.cz/rt). We are responsible for verifying your licenses. |
| Wannier90 | A tool for obtaining maximally-localised Wannier functions |
Compiler
| Module | Description |
|---|---|
| Clang | C, C++, Objective-C compiler, based on LLVM. Does not include C++ standard library — use libstdc++ from GCC. |
| 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,…). |
| 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,…). |
| glslang-SPIRV | Glslang is the official reference compiler front end for the OpenGL ES and OpenGL shading languages. It implements a strict interpretation of the specifications for these languages. It is open and free for anyone to use, either from a command line or programmatically. The OpenGL and OpenGL ES working groups are committed to maintaining consistency between the reference compiler and the corresponding shading language specifications. |
| intel-compilers | Intel C, C++ & Fortran compilers |
| 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. |
| llvm-compilers | The LLVM Project is a collection of modular and reusable compiler and toolchain technologies. |
Data
| Module | Description |
|---|---|
| HDF5 | HDF5 is a data model, library, and file format for storing and managing data. It supports an unlimited variety of datatypes, and is designed for flexible and efficient I/O and for high volume and complex data. |
| LAME | LAME is a high quality MPEG Audio Layer III (MP3) encoder licensed under the LGPL. |
| 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. |
Debugger
| Module | Description |
|---|---|
| Valgrind | Valgrind: Debugging and profiling tools |
Devel
| Module | Description |
|---|---|
| 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. |
| Automake | Automake: GNU Standards-compliant Makefile generator |
| Autotools | This bundle collect the standard GNU build tools: Autoconf, Automake and libtool |
| Boost | Boost provides free peer-reviewed portable C++ source libraries. |
| build | A simple, correct Python build frontend. |
| CMake | CMake, the cross-platform, open-source build system. CMake is a family of tools designed to build, test and package software. |
| DBus | D-Bus is a message bus system, a simple way for applications to talk to one another. In addition to interprocess communication, D-Bus helps coordinate process lifecycle; it makes it simple and reliable to code a “single instance” application or daemon, and to launch applications and daemons on demand when their services are needed. |
| 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. |
| 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. |
| 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. |
| 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. |
| intltool | intltool is a set of tools to centralize translation of many different file formats using GNU gettext-compatible PO files. |
| libgit2 | libgit2 is a portable, pure C implementation of the Git core methods provided as a re-entrant linkable library with a solid API, allowing you to write native speed custom Git applications in any language which supports C bindings. |
| 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. |
| make | GNU version of make utility |
| makeinfo | makeinfo is part of the Texinfo project, the official documentation format of the GNU project. |
| Mako | A super-fast templating language that borrows the best ideas from the existing templating languages |
| 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. |
| PCRE2 | The PCRE library is a set of functions that implement regular expression pattern matching using the same syntax and semantics as Perl 5. |
| 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. |
| Qt5 | Qt is a comprehensive cross-platform C++ application framework. |
| Qt6 | Qt is a comprehensive cross-platform C++ application framework. |
| spin | Developer tool for scientific Python libraries |
| SQLite | SQLite: SQL Database Engine in a C Library |
| 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). |
| xorg-macros | X.org macros utilities. |
Lang
| Module | Description |
|---|---|
| Anaconda3 | Built to complement the rich, open source Python community, the Anaconda platform provides an enterprise-ready data analytics platform that empowers companies to adopt a modern open data science analytics architecture. |
| 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. |
| Cython | Cython is an optimising static compiler for both the Python programming language and the extended Cython programming language (based on Pyrex). |
| 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. |
| FriBidi | The Free Implementation of the Unicode Bidirectional Algorithm. |
| Java | Java Platform, Standard Edition (Java SE) lets you develop and deploy Java applications on desktops and servers. |
| 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. |
| NASM | NASM: General-purpose x86 assembler |
| nodejs | Node.js is a platform built on Chrome’s JavaScript runtime for easily building fast, scalable network applications. Node.js uses an event-driven, non-blocking I/O model that makes it lightweight and efficient, perfect for data-intensive real-time applications that run across distributed devices. |
| Perl | Larry Wall’s Practical Extraction and Report Language Includes a small selection of extra CPAN packages for core functionality. |
| Perl-bundle-CPAN | A set of common packages from CPAN |
| PyQt-builder | PyQt-builder is the PEP 517 compliant build system for PyQt and projects that extend PyQt. It extends the SIP build system and uses Qt’s qmake to perform the actual compilation and installation of extension modules. |
| Python | Python is a programming language that lets you work more quickly and integrate your systems more effectively. |
| Python-bundle-PyPI | Bundle of Python packages from PyPI |
| R | R is a free software environment for statistical computing and graphics. |
| Ruby | Ruby is a dynamic, open source programming language with a focus on simplicity and productivity. It has an elegant syntax that is natural to read and easy to write. |
| Rust | Rust is a systems programming language that runs blazingly fast, prevents segfaults, and guarantees thread safety. |
| SciPy-bundle | Bundle of Python packages for scientific software |
| SIP | SIP is a tool that makes it very easy to create Python bindings for C and C++ libraries. |
| 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. |
| Tkinter | Tkinter module, built with the Python buildsystem |
| Yasm | Yasm: Complete rewrite of the NASM assembler with BSD license |
Lib
| Module | Description |
|---|---|
| alsa-lib | The Advanced Linux Sound Architecture (ALSA) provides audio and MIDI functionality to the Linux operating system. |
| 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. |
| Catch2 | A modern, C++-native, header-only, test framework for unit-tests, TDD and BDD - using C++11, C++14, C++17 and later |
| double-conversion | Efficient binary-decimal and decimal-binary conversion routines for IEEE doubles. |
| elfutils | The elfutils project provides libraries and tools for ELF files and DWARF data. |
| ffnvcodec | FFmpeg nvidia headers. Adds support for nvenc and nvdec. Requires Nvidia GPU and drivers to be present (picked up dynamically). |
| FLAC | FLAC stands for Free Lossless Audio Codec, an audio format similar to MP3, but lossless, meaning that audio is compressed in FLAC without any loss in quality. |
| 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. |
| freeglut | freeglut is a completely OpenSourced alternative to the OpenGL Utility Toolkit (GLUT) library. |
| 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. |
| GlobalArrays | Global Arrays (GA) is a Partitioned Global Address Space (PGAS) programming model |
| graphite2 | Graphite is a “smart font” system developed specifically to handle the complexities of lesser-known languages of the world. |
| ICU | ICU is a mature, widely used set of C/C++ and Java libraries providing Unicode and Globalization support for software applications. |
| json-fortran | JSON-Fortran: A Modern Fortran JSON API |
| libaec | Libaec provides fast lossless compression of 1 up to 32 bit wide signed or unsigned integers (samples). The library achieves best results for low entropy data as often encountered in space imaging instrument data or numerical model output from weather or climate simulations. While floating point representations are not directly supported, they can also be efficiently coded by grouping exponents and mantissa. |
| libaom | |
| libclc | libclc is an open source, BSD/MIT dual licensed implementation of the library requirements of the OpenCL C programming language, as specified by the OpenCL 1.1 Specification. |
| libdrm | Direct Rendering Manager runtime library. |
| libepoxy | Epoxy is a library for handling OpenGL function pointer management for you |
| 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. |
| 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. |
| 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. |
| libgd | GD is an open source code library for the dynamic creation of images by programmers. |
| libglvnd | libglvnd is a vendor-neutral dispatch layer for arbitrating OpenGL API calls between multiple vendors. |
| libiconv | Libiconv converts from one character encoding to another through Unicode conversion |
| libidn2 | Libidn2 implements the revised algorithm for internationalized domain names called IDNA2008/TR46. |
| 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. |
| libogg | Ogg is a multimedia container format, and the native file and stream format for the Xiph.org multimedia codecs. |
| libopus | Opus is a totally open, royalty-free, highly versatile audio codec. Opus is unmatched for interactive speech and music transmission over the Internet, but is also intended for storage and streaming applications. It is standardized by the Internet Engineering Task Force (IETF) as RFC 6716 which incorporated technology from Skype’s SILK codec and Xiph.Org’s CELT codec. |
| libpng | libpng is the official PNG reference library |
| libpsl | C library for the Public Suffix List |
| 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. |
| libsndfile | Libsndfile is a C library for reading and writing files containing sampled sound (such as MS Windows WAV and the Apple/SGI AIFF format) through one standard library interface. |
| LibTIFF | tiff: Library and tools for reading and writing TIFF data files |
| libtommath | LibTomMath is a free open source portable number theoretic multiple-precision integer (MPI) library written entirely in C. |
| libtool | GNU libtool is a generic library support script. Libtool hides the complexity of using shared libraries behind a consistent, portable interface. |
| libunistring | This library provides functions for manipulating Unicode strings and for manipulating C strings according to the Unicode standard. |
| 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 |
| libvorbis | Ogg Vorbis is a fully open, non-proprietary, patent-and-royalty-free, general-purpose compressed audio format |
| libwebp | WebP is a modern image format that provides superior lossless and lossy compression for images on the web. Using WebP, webmasters and web developers can create smaller, richer images that make the web faster. |
| libxml2 | Libxml2 is the XML C parser and toolchain developed for the Gnome project (but usable outside of the Gnome platform). |
| libxslt | Libxslt is the XSLT C library developed for the GNOME project (but usable outside of the Gnome platform). |
| libyaml | LibYAML is a YAML parser and emitter written in C. |
| lxml | The lxml XML toolkit is a Pythonic binding for the C libraries libxml2 and libxslt. |
| 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. |
| nettle | Nettle is a cryptographic library that is designed to fit easily in more or less any context: In crypto toolkits for object-oriented languages (C++, Python, Pike, …), in applications like LSH or GNUPG, or even in kernel space. |
| NSPR | Netscape Portable Runtime (NSPR) provides a platform-neutral API for system level and libc-like functions. |
| NSS | Network Security Services (NSS) is a set of libraries designed to support cross-platform development of security-enabled client and server applications. |
| 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. |
| PLY | PLY is yet another implementation of lex and yacc for Python. |
| 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. |
| PRRTE | PRRTE is the PMIx Reference RunTime Environment |
| psutil | A cross-platform process and system utilities module for Python |
| 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. |
| PyYAML | PyYAML is a YAML parser and emitter for the Python programming language. |
| RapidJSON | A fast JSON parser/generator for C++ with both SAX/DOM style API |
| scikit-build | Scikit-Build, or skbuild, is an improved build system generator for CPython C/C++/Fortran/Cython extensions. |
| 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. |
| SDL2 | SDL: Simple DirectMedia Layer, a cross-platform multimedia library |
| snappy | Snappy is a compression/decompression library. It does not aim for maximum compression, or compatibility with any other compression library; instead, it aims for very high speeds and reasonable compression. |
| 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. |
| UCX | Unified Communication X An open-source production grade communication framework for data centric and high-performance applications |
| XALT | XALT is a tool to allow a site to track user executables and library usage on a cluster. When installed it can tell a site what are the top executables by Node-Hours or by the number of users or the number of times it is run. XALT 2 also tracks library usage as well. XALT 2 can also track package use by R, MATLAB or Python. It tracks both MPI and non-MPI programs. |
| 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. |
| 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. |
Math
| Module | Description |
|---|---|
| Eigen | Eigen is a C++ template library for linear algebra: matrices, vectors, numerical solvers, and related algorithms. |
| ELPA | Eigenvalue SoLvers for Petaflop-Applications. |
| GMP | GMP is a free library for arbitrary precision arithmetic, operating on signed integers, rational numbers, and floating point numbers. |
| KaHIP | The graph partitioning framework KaHIP — Karlsruhe High Quality Partitioning. |
| libcerf | libcerf is a self-contained numeric library that provides an efficient and accurate implementation of complex error functions, along with Dawson, Faddeeva, and Voigt functions. |
| METIS | METIS is a set of serial programs for partitioning graphs, partitioning finite element meshes, and producing fill reducing orderings for sparse matrices. The algorithms implemented in METIS are based on the multilevel recursive-bisection, multilevel k-way, and multi-constraint partitioning schemes. |
| MPFR | The MPFR library is a C library for multiple-precision floating-point computations with correct rounding. |
| Octave | GNU Octave is a high-level interpreted language, primarily intended for numerical computations. |
| Qhull | Qhull computes the convex hull, Delaunay triangulation, Voronoi diagram, halfspace intersection about a point, furthest-site Delaunay triangulation, and furthest-site Voronoi diagram. The source code runs in 2-d, 3-d, 4-d, and higher dimensions. Qhull implements the Quickhull algorithm for computing the convex hull. |
| SCOTCH | Software package and libraries for sequential and parallel graph partitioning, static mapping, and sparse matrix block ordering, and sequential mesh and hypergraph partitioning. |
| SUNDIALS | SUNDIALS: SUite of Nonlinear and DIfferential/ALgebraic Equation Solvers |
Mpi
| Module | Description |
|---|---|
| impi | Intel MPI Library, compatible with MPICH ABI |
| OpenMPI | The Open MPI Project is an open source MPI-3 implementation. |
Numlib
| Module | Description |
|---|---|
| AOCL-BLAS | AOCL-BLAS is AMD’s optimized version of BLAS targeted for AMD EPYC and Ryzen CPUs. |
| arpack-ng | ARPACK is a collection of Fortran77 subroutines designed to solve large scale eigenvalue problems. |
| BLIS | BLIS is a portable software framework for instantiating high-performance BLAS-like dense linear algebra libraries. |
| CGAL | The goal of the CGAL Open Source Project is to provide easy access to efficient and reliable geometric algorithms in the form of a C++ library. |
| 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. |
| 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. |
| imkl | Intel oneAPI Math Kernel Library |
| imkl-FFTW | FFTW interfaces using Intel oneAPI Math Kernel Library |
| OpenBLAS | OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version. |
| qrupdate | qrupdate is a Fortran library for fast updates of QR and Cholesky decompositions. |
| ScaLAPACK | The ScaLAPACK (or Scalable LAPACK) library includes a subset of LAPACK routines redesigned for distributed memory MIMD parallel computers. |
| SuiteSparse | SuiteSparse is a collection of libraries to manipulate sparse matrices. |
Perf
| Module | Description |
|---|---|
| Vampir | The Vampir software tool provides an easy-to-use framework that enables developers to quickly display and analyze arbitrary program behavior at any level of detail. The tool suite implements optimized event analysis algorithms and customizable displays that enable fast and interactive rendering of very local_complex performance monitoring data. |
System
| Module | Description |
|---|---|
| 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. |
| libdeflate | Heavily optimized library for DEFLATE/zlib/gzip compression and decompression. |
| libpciaccess | Generic PCI access library. |
| 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. |
Toolchain
| Module | Description |
|---|---|
| foss | GNU Compiler Collection (GCC) based compiler toolchain, including OpenMPI for MPI support, OpenBLAS (BLAS and LAPACK support), FFTW and ScaLAPACK. |
| gfbf | GNU Compiler Collection (GCC) based compiler toolchain, including FlexiBLAS (BLAS and LAPACK support) and (serial) FFTW. |
| gompi | GNU Compiler Collection (GCC) based compiler toolchain, including OpenMPI for MPI support. |
| iimpi | Intel C/C++ and Fortran compilers, alongside Intel MPI. |
| intel | Compiler toolchain including Intel compilers, Intel MPI and Intel Math Kernel Library (MKL). |
| lfoss | GNU Compiler Collection (GCC) based compiler toolchain, including OpenMPI for MPI support, OpenBLAS (BLAS and LAPACK support), FFTW and ScaLAPACK. |
| lompi | LLVM based compiler toolchain, including OpenMPI for MPI support. |
Tools
| Module | Description |
|---|---|
| ANSYS | Ansys offers a comprehensive software suite that spans the entire range of physics, providing access to virtually any field of engineering simulation that a design process requires. |
| binutils | binutils: GNU binary utilities |
| 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. |
| 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. |
| 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. |
| cryptography | cryptography is a package designed to expose cryptographic primitives and recipes to Python developers. |
| 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. |
| dav1d | dav1d is an AV1 cross-platform decoder, open-source, and focused on speed and correctness. |
| DB | Berkeley DB enables the development of custom data management solutions, without the overhead traditionally associated with such custom projects. |
| 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. |
| 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). |
| flit | A simple packaging tool for simple packages. |
| gawk | The awk utility interprets a special-purpose programming language that makes it possible to handle simple data-reformatting jobs with just a few lines of code. |
| 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 |
| 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. |
| 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. |
| GLPK | The GLPK (GNU Linear Programming Kit) package is intended for solving large-scale linear programming (LP), mixed integer programming (MIP), and other related problems. It is a set of routines written in ANSI C and organized in the form of a callable library. |
| gperftools | gperftools is a collection of a high-performance multi-threaded malloc() implementation, plus some pretty nifty performance analysis tools. Includes TCMalloc, heap-checker, heap-profiler and cpu-profiler. |
| groff | Groff (GNU troff) is a typesetting system that reads plain text mixed with formatting commands and produces formatted output. |
| gzip | gzip (GNU zip) is a popular data compression program as a replacement for compress |
| hatchling | Extensible, standards compliant build backend used by Hatch, a modern, extensible Python project manager. |
| help2man | help2man produces simple manual pages from the ‘—help’ and ‘—version’ output of other commands. |
| 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. |
| libarchive | Multi-format archive and compression library |
| libde265 | libde265 is an open source implementation of the h.265 video codec |
| libheif | libheif is an HEIF and AVIF file format decoder and encoder |
| lit | lit is a portable tool for executing LLVM and Clang style test suites, summarizing their results, and providing indication of failures. |
| maturin | This project is meant as a zero configuration replacement for setuptools-rust and milksnake. It supports building wheels for python 3.5+ on windows, linux, mac and freebsd, can upload them to pypi and has basic pypy and graalpy support. |
| Meson | Meson is a cross-platform build system designed to be both as fast and as user friendly as possible. |
| meson-python | Python build backend (PEP 517) for Meson projects |
| Ninja | Ninja is a small build system with a focus on speed. |
| 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. |
| patchelf | PatchELF is a small utility to modify the dynamic linker and RPATH of ELF executables. |
| 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. |
| re2c | re2c is a free and open-source lexer generator for C and C++. Its main goal is generating fast lexers: at least as fast as their reasonably optimized hand-coded counterparts. Instead of using traditional table-driven approach, re2c encodes the generated finite state automata directly in the form of conditional jumps and comparisons. |
| setuptools-rust | setuptools-rust is a plugin for setuptools to build Rust Python extensions implemented with PyO3 or rust-cpython. |
| SVT-AV1 | The Scalable Video Technology for AV1 (SVT-AV1 Encoder) is an AV1-compliant software encoder library. The work on the SVT-AV1 encoder targets the development of a production-quality AV1-encoder with performance levels applicable to a wide range of applications, from premium VOD to real-time and live encoding/transcoding. |
| Szip | Szip compression software, providing lossless compression of scientific data |
| 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. |
| util-linux | Set of Linux utilities |
| virtualenv | A tool for creating isolated virtual python environments. |
| VTune | Intel VTune Amplifier XE is the premier performance profiler for C, C++, C#, Fortran, Assembly and Java. |
| XZ | xz: XZ utilities |
| Z3 | Z3 is a theorem prover from Microsoft Research with support for bitvectors, booleans, arrays, floating point numbers, strings, and other data types. This module includes z3-solver, the Python interface of Z3. |
| 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 |
Vis
| Module | Description |
|---|---|
| assimp | Open Asset Import Library (assimp) is a library to import and export various 3d-model-formats including scene-post-processing to generate missing render data. |
| at-spi2-atk | AT-SPI 2 toolkit bridge |
| at-spi2-core | Assistive Technology Service Provider Interface. |
| ATK | ATK provides the set of accessibility interfaces that are implemented by other toolkits and applications. Using the ATK interfaces, accessibility tools have full access to view and control running applications. |
| 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 |
| FFmpeg | A complete, cross-platform solution to record, convert and stream audio and video. |
| FLTK | FLTK is a cross-platform C++ GUI toolkit for UNIX/Linux (X11), Microsoft Windows, and MacOS X. FLTK provides modern GUI functionality without the bloat and supports 3D graphics via OpenGL and its built-in GLUT emulation. |
| fontconfig | Fontconfig is a library designed to provide system-wide font configuration, customization and application access. |
| 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. |
| Gdk-Pixbuf | The Gdk Pixbuf is a toolkit for image loading and pixel buffer manipulation. It is used by GTK+ 2 and GTK+ 3 to load and manipulate images. In the past it was distributed as part of GTK+ 2 but it was split off into a separate package in preparation for the change to GTK+ 3. |
| GL2PS | GL2PS: an OpenGL to PostScript printing library |
| GLib | GLib is one of the base libraries of the GTK+ project |
| gnuplot | Portable interactive, function plotting utility |
| GraphicsMagick | GraphicsMagick is the swiss army knife of image processing. |
| GTK3 | GTK+ is the primary library used to construct user interfaces in GNOME. It provides all the user interface controls, or widgets, used in a common graphical application. Its object-oriented API allows you to construct user interfaces without dealing with the low-level details of drawing and device interaction. |
| HarfBuzz | HarfBuzz is an OpenType text shaping engine. |
| 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. |
| 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. |
| libGLU | The OpenGL Utility Library (GLU) is a computer graphics library for OpenGL. |
| libvpx | VPx are open and royalty free video compression formats owned by Google. |
| LittleCMS | Little CMS intends to be an OPEN SOURCE small-footprint color management engine, with special focus on accuracy and performance. |
| matplotlib | matplotlib is a python 2D plotting library which produces publication quality figures in a variety of hardcopy formats and interactive environments across platforms. matplotlib can be used in python scripts, the python and ipython shell, web application servers, and six graphical user interface toolkits. |
| Mesa | Mesa is an open-source implementation of the OpenGL specification - a system for rendering interactive 3D graphics. |
| OpenGL | Open Graphics Library (OpenGL) is a cross-language, cross-platform application programming interface (API) for rendering 2D and 3D vector graphics. This module is a bundle of software required for OpenGL rendering. It provides Mesa as an open-source implementation of the OpenGL specification with software rendering and AMD GPU support, libglvnd for a vendor neutral dispatch layer for rendering with both NVIDIA GPUs & Mesa, Mesa-demos for sample applications, and GLU as an computer graphics library utilizing OpenGL. |
| OSPRay | Open, Scalable, and Portable Ray Tracing Engine |
| 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. |
| ParaView | ParaView is a scientific parallel visualizer. |
| ParaView-Catalyst | ParaView Catalyst provides a small, easy-to-use, API that any simulation developed in C++, C, Fortran or Python can use to do in situ analysis without developing its own custom data analysis code. |
| Pillow | Pillow is the ‘friendly PIL fork’ by Alex Clark and Contributors. PIL is the Python Imaging Library by Fredrik Lundh and Contributors. |
| 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. |
| PyQt6 | PyQt6 is a comprehensive set of Python bindings for Qt v6. It is implemented as more than 35 extension modules and enables Python to be used as an alternative application development language to C++. This bundle includes PyQtWebEngine, a set of Python bindings for The Qt Company’s Qt WebEngine framework. |
| QScintilla | QScintilla is a port to Qt of Neil Hodgson’s Scintilla C++ editor control |
| Tk | Tk is an open source, cross-platform widget toolchain that provides a library of basic elements for building a graphical user interface (GUI) in many different programming languages. |
| 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. |
| X11 | The X Window System (X11) is a windowing system for bitmap displays |
| x264 | x264 is a free software library and application for encoding video streams into the H.264/MPEG-4 AVC compression format, and is released under the terms of the GNU GPL. |
| x265 | x265 is a free software library and application for encoding video streams into the H.265 AVC compression format, and is released under the terms of the GNU GPL. |
| xprop | The xprop utility is for displaying window and font properties in an X server. One window or font is selected using the command line arguments or possibly in the case of a window, by clicking on the desired window. A list of properties is then given, possibly with formatting information. |
