diff --git a/barbora.csv b/barbora.csv index b467e0cbfc9fec30a9c70fd1f09ffd53e78c0719..e113417f7099bdfdb54171f2be6ad35534dd875b 100644 --- a/barbora.csv +++ b/barbora.csv @@ -894,11 +894,8 @@ OpenMPI/4.1.1-GCC-10.2.0,2 OpenMPI/4.1.1-GCC-10.2.0-Java-1.8.0_221,2 OpenMPI/4.1.1-GCC-10.2.0-test,2 OpenMPI/4.1.1-GCC-10.3.0,2 -OpenMPI/4.1.1-GCC-11.2.0,2 OpenMPI/4.1.2-NVHPC-22.2-CUDA-11.6.0,2 OpenMPI/4.1.2-NVHPC-22.2-CUDA-11.6.0-v2,2 -OpenMPI/4.1.4-GCC-11.3.0,2 -OpenMPI/4.1.4-GCC-11.3.0-CUDA-11.7.0,2 OpenMPI/4.1.4-GCC-12.2.0,2 OpenSSL/1.1.1e-GCCcore-9.3.0,2 OpenSSL/1.1.1h-GCCcore-10.2.0,2 diff --git a/barbora.md b/barbora.md index b0cd3e46f34deceb653ba10ca99581a44800c70a..50410387d7bd7eb3d943ead973b72ddd3db88e82 100644 --- a/barbora.md +++ b/barbora.md @@ -245,214 +245,3 @@ | [impi](https://software.intel.com/content/www/us/en/develop/tools/mpi-library.html) | Intel MPI Library, compatible with MPICH ABI | | [mpi4py](http://mpi4py.scipy.org/docs) | MPI for Python (mpi4py) provides bindings of the Message Passing Interface (MPI) standard for the Python programming language, allowing any Python program to exploit multiple processors. | | [mpi4pyscf](https://github.com/pyscf/mpi4pyscf) | mpi4pyscf is a plugin for PySCF which enables MPI (Message Passing Interface) parallelism. | -| [OpenMPI](https://www.open-mpi.org/) | The Open MPI Project is an open source MPI-3 implementation. | - -## Numlib - -| Module | Description | -| ------ | ----------- | -| [arpack-ng](https://github.com/opencollab/arpack-ng) | ARPACK is a collection of Fortran77 subroutines designed to solve large scale eigenvalue problems. | -| [BLIS](https://github.com/flame/blis/) | BLIS is a portable software framework for instantiating high-performance BLAS-like dense linear algebra libraries. | -| [CGAL](https://www.cgal.org/) | 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. | -| [cuDNN](https://developer.nvidia.com/cudnn) | The NVIDIA CUDA Deep Neural Network library (cuDNN) is a GPU-accelerated library of primitives for deep neural networks. | -| [FFTW](http://www.fftw.org) | 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](https://www.fftw.org) | 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. | -| [GSL](https://www.gnu.org/software/gsl/) | The GNU Scientific Library (GSL) is a numerical library for C and C++ programmers. The library provides a wide range of mathematical routines such as random number generators, special functions and least-squares fitting. | -| [Hypre](https://computation.llnl.gov/projects/hypre-scalable-linear-solvers-multigrid-methods) | Hypre is a library for solving large, sparse linear systems of equations on massively parallel computers. The problems of interest arise in the simulation codes being developed at LLNL and elsewhere to study physical phenomena in the defense, environmental, energy, and biological sciences. | -| [imkl](https://software.intel.com/content/www/us/en/develop/tools/oneapi/components/onemkl.html) | Intel oneAPI Math Kernel Library | -| [imkl-FFTW](https://software.intel.com/content/www/us/en/develop/tools/oneapi/components/onemkl.html) | FFTW interfaces using Intel oneAPI Math Kernel Library | -| [libFLAME](https://developer.amd.com/amd-cpu-libraries/blas-library/#libflame) | libFLAME is a portable library for dense matrix computations, providing much of the functionality present in LAPACK. | -| [NLopt](http://ab-initio.mit.edu/wiki/index.php/NLopt) | 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. | -| [OpenBLAS](https://xianyi.github.com/OpenBLAS/) | OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version. | -| [PETSc](https://www.mcs.anl.gov/petsc) | PETSc, pronounced PET-see (the S is silent), is a suite of data structures and routines for the scalable (parallel) solution of scientific applications modeled by partial differential equations. | -| [ScaLAPACK](https://www.netlib.org/scalapack/) | The ScaLAPACK (or Scalable LAPACK) library includes a subset of LAPACK routines redesigned for distributed memory MIMD parallel computers. | -| [SuiteSparse](https://faculty.cse.tamu.edu/davis/suitesparse.html) | SuiteSparse is a collection of libraries manipulate sparse matrices. | - -## Os - -| Module | Description | -| ------ | ----------- | -| [CentOS](https://www.centos.org/) | The CentOS Project is a community-driven free software effort focused on delivering a robust open source ecosystem. For users, we offer a consistent manageable platform that suits a wide variety of deployments. For open source communities, we offer a solid, predictable base to build upon, along with extensive resources to build, test, release, and maintain their code. We’re also expanding the availability of CentOS images across a number of vendors, providing official images for Amazon, Google, and more. For self-hosted cloud, we also provide a generic cloud-init enabled image. For more information about updates and improvements in CentOS 7, please check out the release notes or the release announcement in the mailing list archive. | -| [Fedora](https://www.ubuntu.com/) | Ubuntu is a Debian-based Linux operating system for personal computers, tablets and smartphones, where Ubuntu Touch edition is used. It also runs network servers. That is usually with the Ubuntu Server edition, either on physical or virtual servers (such as on mainframes) or with containers, that is with enterprise-class features. It runs on the most popular architectures, including server-class ARM-based. Ubuntu is published by Canonical Ltd, who offer commercial support. It is based on free software and named after the Southern African philosophy of ubuntu (literally, 'human-ness'), which Canonical Ltd. suggests can be loosely translated as "humanity to others" or "I am what I am because of who we all are". Since Ubuntu 11.04 Natty Narwhal Ubuntu has used Unity as its default user interface for the desktop, but following the release of Ubuntu 17.10 it will move to the GNOME 3 desktop instead, as work on Unity ends. Ubuntu is the most popular operating system running in hosted environments, so–called "clouds", as it is the most popular server Linux distribution. Development of Ubuntu is led by UK-based Canonical Ltd., a company of South African entrepreneur Mark Shuttleworth. Canonical generates revenue through the sale of technical support and other services related to Ubuntu. The Ubuntu project is publicly committed to the principles of open-source software development; people are encouraged to use free software, study how it works, improve upon it, and distribute it. | -| Rocky | Old module, description not available. | -| [Ubuntu](https://www.ubuntu.com/) | Ubuntu is a Debian-based Linux operating system for personal computers, tablets and smartphones, where Ubuntu Touch edition is used. It also runs network servers. That is usually with the Ubuntu Server edition, either on physical or virtual servers (such as on mainframes) or with containers, that is with enterprise-class features. It runs on the most popular architectures, including server-class ARM-based. Ubuntu is published by Canonical Ltd, who offer commercial support. It is based on free software and named after the Southern African philosophy of ubuntu (literally, 'human-ness'), which Canonical Ltd. suggests can be loosely translated as "humanity to others" or "I am what I am because of who we all are". Since Ubuntu 11.04 Natty Narwhal Ubuntu has used Unity as its default user interface for the desktop, but following the release of Ubuntu 17.10 it will move to the GNOME 3 desktop instead, as work on Unity ends. Ubuntu is the most popular operating system running in hosted environments, so–called "clouds", as it is the most popular server Linux distribution. Development of Ubuntu is led by UK-based Canonical Ltd., a company of South African entrepreneur Mark Shuttleworth. Canonical generates revenue through the sale of technical support and other services related to Ubuntu. The Ubuntu project is publicly committed to the principles of open-source software development; people are encouraged to use free software, study how it works, improve upon it, and distribute it. | - -## Perf - -| Module | Description | -| ------ | ----------- | -| [Advisor](https://software.intel.com/intel-advisor-xe) | Vectorization Optimization and Thread Prototyping - Vectorize & thread code or performance - Easy workflow + data + tips = faster code faster - Prioritize, Prototype & Predict performance gain | -| [Cube](http://www.scalasca.org/software/cube-4.x/download.html) | Cube, which is used as performance report explorer for Scalasca and Score-P, is a generic tool for displaying a multi-dimensional performance space consisting of the dimensions (i) performance metric, (ii) call path, and (iii) system resource. Each dimension can be represented as a tree, where non-leaf nodes of the tree can be collapsed or expanded to achieve the desired level of granularity. | -| [CubeGUI](https://www.scalasca.org/software/cube-4.x/download.html) | Cube, which is used as performance report explorer for Scalasca and Score-P, is a generic tool for displaying a multi-dimensional performance space consisting of the dimensions (i) performance metric, (ii) call path, and (iii) system resource. Each dimension can be represented as a tree, where non-leaf nodes of the tree can be collapsed or expanded to achieve the desired level of granularity. This module provides the Cube graphical report explorer. | -| [CubeLib](https://www.scalasca.org/software/cube-4.x/download.html) | Cube, which is used as performance report explorer for Scalasca and Score-P, is a generic tool for displaying a multi-dimensional performance space consisting of the dimensions (i) performance metric, (ii) call path, and (iii) system resource. Each dimension can be represented as a tree, where non-leaf nodes of the tree can be collapsed or expanded to achieve the desired level of granularity. This module provides the Cube general purpose C++ library component and command-line tools. | -| [CubeWriter](https://www.scalasca.org/software/cube-4.x/download.html) | Cube, which is used as performance report explorer for Scalasca and Score-P, is a generic tool for displaying a multi-dimensional performance space consisting of the dimensions (i) performance metric, (ii) call path, and (iii) system resource. Each dimension can be represented as a tree, where non-leaf nodes of the tree can be collapsed or expanded to achieve the desired level of granularity. This module provides the Cube high-performance C writer library component. | -| [Extrae](https://www.bsc.es/computer-sciences/performance-tools) | Extrae is the core instrumentation package developed by the Performance Tools group at BSC. Extrae is capable of instrumenting applications based on MPI, OpenMP, pthreads, CUDA1, OpenCL1, and StarSs1 using different instrumentation approaches. The information gathered by Extrae typically includes timestamped events of runtime calls, performance counters and source code references. Besides, Extrae provides its own API to allow the user to manually instrument his or her application. | -| [OPARI2](https://www.score-p.org) | OPARI2, the successor of Forschungszentrum Juelich's OPARI, is a source-to-source instrumentation tool for OpenMP and hybrid codes. It surrounds OpenMP directives and runtime library calls with calls to the POMP2 measurement interface. | -| [OSU-Micro-Benchmarks](https://mvapich.cse.ohio-state.edu/benchmarks/) | OSU Micro-Benchmarks | -| [OTF2](https://www.score-p.org) | The Open Trace Format 2 is a highly scalable, memory efficient event trace data format plus support library. It is the new standard trace format for Scalasca, Vampir, and TAU and is open for other tools. | -| [PAPI](https://icl.cs.utk.edu/projects/papi/) | PAPI provides the tool designer and application engineer with a consistent interface and methodology for use of the performance counter hardware found in most major microprocessors. PAPI enables software engineers to see, in near real time, the relation between software performance and processor events. In addition Component PAPI provides access to a collection of components that expose performance measurement opportunites across the hardware and software stack. | -| [Paraver](https://tools.bsc.es/paraver) | A very powerful performance visualization and analysis tool based on traces that can be used to analyse any information that is expressed on its input trace format. Traces for parallel MPI, OpenMP and other programs can be genereated with Extrae. | -| [PDT](https://www.cs.uoregon.edu/research/pdt/) | Program Database Toolkit (PDT) is a framework for analyzing source code written in several programming languages and for making rich program knowledge accessible to developers of static and dynamic analysis tools. PDT implements a standard program representation, the program database (PDB), that can be accessed in a uniform way through a class library supporting common PDB operations. | -| [Scalasca](https://www.scalasca.org/) | Scalasca is a software tool that supports the performance optimization of parallel programs by measuring and analyzing their runtime behavior. The analysis identifies potential performance bottlenecks -- in particular those concerning communication and synchronization -- and offers guidance in exploring their causes. | -| [Score-P](https://www.score-p.org) | The Score-P measurement infrastructure is a highly scalable and easy-to-use tool suite for profiling, event tracing, and online analysis of HPC applications. | -| [Vampir](http://www.vampir.eu) | 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. | - -## Phys - -| Module | Description | -| ------ | ----------- | -| [BerkeleyGW](https://www.berkeleygw.org) | The BerkeleyGW Package is a set of computer codes that calculates the quasiparticle properties and the optical responses of a large variety of materials from bulk periodic crystals to nanostructures such as slabs, wires and molecules. | -| [COMSOL](https://www.comsol.com) | COMSOL Multiphysics is a general-purpose software platform, based on advanced numerical methods, for modeling and simulating physics-based problems. | -| [DFTB+](https://www.dftb-plus.info) | DFTB+ is a fast and efficient versatile quantum mechanical simulation package. It is based on the Density Functional Tight Binding (DFTB) method, containing almost all of the useful extensions which have been developed for the DFTB framework so far. Using DFTB+ you can carry out quantum mechanical simulations like with ab-initio density functional theory based packages, but in an approximate way gaining typically around two order of magnitude in speed. | -| [Elk](http://elk.sourceforge.net/) | An all-electron full-potential linearised augmented-plane wave (FP-LAPW) code with many advanced features. Written originally at Karl-Franzens-Universität Graz as a milestone of the EXCITING EU Research and Training Network, the code is designed to be as simple as possible so that new developments in the field of density functional theory (DFT) can be added quickly and reliably. | -| [Gaussian](https://gaussian.com/) | Gaussian 16 is the latest in the Gaussian series of programs. It provides state-of-the-art capabilities for electronic structure modeling. Gaussian 16 is licensed for a wide variety of computer systems. All versions of Gaussian 16 contain every scientific/modeling feature, and none imposes any artificial limitations on calculations other than your computing resources and patience. | -| [phono3py](http://phonopy.sourceforge.net/phono3py/index.html) | This software calculates phonon-phonon interaction related properties | -| [phonopy](http://phonopy.sourceforge.net/phono3py/index.html) | This software calculates phonon-phonon interaction related properties | -| [QMCPACK](https://qmcpack.org/) | QMCPACK, is a modern high-performance open-source Quantum Monte Carlo (QMC) simulation code. Its main applications are electronic structure calculations of molecular, quasi-2D and solid-state systems. Variational Monte Carlo (VMC), diffusion Monte Carlo (DMC) and a number of other advanced QMC algorithms are implemented. Orbital space auxiliary field QMC (AFQMC) has recently been added. By directly solving the Schrodinger equation, QMC methods offer greater accuracy than methods such as density functional theory, but at a trade-off of much greater local_computational expense. | -| [Siesta](http://departments.icmab.es/leem/siesta) | SIESTA is both a method and its computer program implementation, to perform efficient electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids. | -| [TB2J](https://python.org/) | Python is a programming language that lets you work more quickly and integrate your systems more effectively. | -| [UDUNITS](https://www.unidata.ucar.edu/software/udunits/) | UDUNITS supports conversion of unit specifications between formatted and binary forms, arithmetic manipulation of units, and conversion of values between compatible scales of measurement. | - -## Python - -| Module | Description | -| ------ | ----------- | -| [BoltzTraP2](https://www.imc.tuwien.ac.at/index.php?id=21094) | BoltzTraP2 is a modern implementation of the smoothed Fourier interpolation algorithm for electronic bands that formed the base of the original and widely used BoltzTraP code. | - -## System - -| Module | Description | -| ------ | ----------- | -| [CUDA](https://developer.nvidia.com/cuda-toolkit) | CUDA (formerly Compute Unified Device Architecture) is a parallel computing platform and programming model created by NVIDIA and implemented by the graphics processing units (GPUs) that they produce. CUDA gives developers access to the virtual instruction set and memory of the parallel computational elements in CUDA GPUs. | -| [CUDAcore](https://developer.nvidia.com/cuda-toolkit) | CUDA (formerly Compute Unified Device Architecture) is a parallel computing platform and programming model created by NVIDIA and implemented by the graphics processing units (GPUs) that they produce. CUDA gives developers access to the virtual instruction set and memory of the parallel computational elements in CUDA GPUs. | -| [hwloc](http://www.open-mpi.org/projects/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 local_computing hardware so as to exploit it accordingly and efficiently. | -| [Kerberos](http://web.mit.edu/kerberos/dist/index.html) | Kerberos is a network authentication protocol. It is designed to provide strong authentication for client/server applications by using secret-key cryptography. A free implementation of this protocol is available from the Massachusetts Institute of Technology. | -| [libdeflate](https://github.com/ebiggers/libdeflate) | Heavily optimized library for DEFLATE/zlib/gzip compression and decompression. | -| [libpciaccess](https://cgit.freedesktop.org/xorg/lib/libpciaccess/) | Generic PCI access library. | -| [OpenSSL](https://www.openssl.org/) | 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](https://easybuild.readthedocs.io/en/master/Common-toolchains.html#foss-toolchain) | GNU Compiler Collection (GCC) based compiler toolchain, including OpenMPI for MPI support, OpenBLAS (BLAS and LAPACK support), FFTW and ScaLAPACK. | -| fosscuda | GCC based compiler toolchain __with CUDA support__, and including OpenMPI for MPI support, OpenBLAS (BLAS and LAPACK support), FFTW and ScaLAPACK. | -| gcccuda | GNU Compiler Collection (GCC) based compiler toolchain, along with CUDA toolkit. | -| gompi | GNU Compiler Collection (GCC) based compiler toolchain, including OpenMPI for MPI support. | -| gompic | GNU Compiler Collection (GCC) based compiler toolchain along with CUDA toolkit, including OpenMPI for MPI support with CUDA features enabled. | -| [iccifort](http://software.intel.com/en-us/intel-cluster-toolkit-compiler/) | Intel C, C++ & Fortran compilers | -| [iimpi](https://software.intel.com/parallel-studio-xe) | Intel C/C++ and Fortran compilers, alongside Intel MPI. | -| [intel](https://easybuild.readthedocs.io/en/master/Common-toolchains.html#intel-toolchain) | Compiler toolchain including Intel compilers, Intel MPI and Intel Math Kernel Library (MKL). | -| nvompi | NVHPC based compiler toolchain, including OpenMPI for MPI support. | - -## Tools - -| Module | Description | -| ------ | ----------- | -| [ANSYS](http://www.ansys.com) | ANSYS simulation software enables organizations to confidently predict how their products will operate in the real world. We believe that every product is a promise of something greater. | -| [apptainer](https://github.com/apptainer/apptainer) | Apptainer is an open source container platform designed to be simple, fast, and secure. Many container platforms are available, but Apptainer is designed for ease-of-use on shared systems and in high performance computing (HPC) environments. | -| [apptainer-wrappers](https://docs.it4i.cz) | Wrappers for Apptainer containers (mailto:easybuild@vsb.cz). | -| [binutils](https://directory.fsf.org/project/binutils/) | binutils: GNU binary utilities | -| [bzip2](https://sourceware.org/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. | -| [cppy](https://github.com/nucleic/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. | -| [cURL](http://curl.haxx.se) | libcurl is a free and easy-to-use client-side URL transfer library | -| [DB](https://www.oracle.com/technetwork/products/berkeleydb) | Berkeley DB enables the development of custom data management solutions, without the overhead traditionally associated with such custom projects. | -| [dos2unix](https://sourceforge.net/projects/dos2unix) | dos2unix includes utilities to convert text files with DOS or MAC line breaks to Unix line breaks and vice versa. It also includes conversion of UTF-16 to UTF-8. | -| [EasyBuild](https://easybuilders.github.io/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. | -| [ecCodes](https://software.ecmwf.int/wiki/display/ECC/ecCodes+Home) | ecCodes is a package developed by ECMWF which provides an application programming interface and a set of tools for decoding and encoding messages in the following formats: WMO FM-92 GRIB edition 1 and edition 2, WMO FM-94 BUFR edition 3 and edition 4, WMO GTS abbreviated header (only decoding). | -| [expat](https://libexpat.github.io) | 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) | -| [fio](https://github.com/axboe/fio) | Flexible I/O tester | -| [FPM](https://github.com/jordansissel/fpm) | Effing package management! Build packages for multiple platforms (deb, rpm, etc) with great ease and sanity. | -| [gettext](https://www.gnu.org/software/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](https://ghostscript.com) | 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](https://git-scm.com/) | 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](https://www.gnu.org/software/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. | -| [groff](https://www.gnu.org/software/groff) | Groff (GNU troff) is a typesetting system that reads plain text mixed with formatting commands and produces formatted output. | -| [gzip](https://www.gnu.org/software/gzip/) | gzip (GNU zip) is a popular data compression program as a replacement for compress | -| [help2man](https://www.gnu.org/software/help2man/) | help2man produces simple manual pages from the '--help' and '--version' output of other commands. | -| [htop](https://htop.dev) | An interactive process viewer for Unix | -| [hypothesis](https://github.com/HypothesisWorks/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. | -| [irodsfs](https://github.com/cyverse/irodsfs/) | iRODS FUSE Lite FUSE implementation of iRODS Client written in Golang. | -| [JOE](http://joe-editor.sourceforge.net) | JOE is a full featured terminal-based screen editor which is distributed under the GNU General Public License (GPL) | -| [libarchive](https://www.libarchive.org/) | Multi-format archive and compression library | -| [LicenseChecker](http://www.it4i.cz) | Tools for Dr. Sevcik (mailto:dr.sevcik@vsb.cz)- checking license files | -| [Linda](https://gaussian.com/lindaprod//) | TCP Linda is a parallel execution environment which has been used to create a parallel version of Gaussian for local area network and some distributed memory multiprocessor environments. | -| [maeparser](https://github.com/schrodinger/maeparser) | maeparser is a parser for Schrodinger Maestro files. | -| [Meson](https://mesonbuild.com) | Meson is a cross-platform build system designed to be both as fast and as user friendly as possible. | -| [MIKE](http://www.mikepoweredbydhi.com/) | MIKE Powered by DHI is a part of DHI, the global organisation dedicated to solving challenges in water environments worldwide. | -| [nano](https://www.nano-editor.org/) | a simple editor, inspired by Pico | -| NetKet | Old module, description not available. | -| [networkx](https://pypi.python.org/pypi/networkx) | NetworkX is a Python package for the creation, manipulation, and study of the structure, dynamics, and functions of complex networks. | -| [Nextflow](https://www.nextflow.io) | Nextflow is a reactive workflow framework and a programming DSL that eases writing computational pipelines with complex data | -| [Ninja](https://ninja-build.org/) | Ninja is a small build system with a focus on speed. | -| [numactl](https://github.com/numactl/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. | -| [parallel](https://savannah.gnu.org/projects/parallel/) | parallel: Build and execute shell commands in parallel | -| Particleworks | Old module, description not available. | -| [pigz](http://zlib.net/pigz/) | pigz, which stands for parallel implementation of gzip, is a fully functional replacement for gzip that exploits multiple processors and multiple cores to the hilt when local_compressing data. pigz was written by Mark Adler, and uses the zlib and pthread libraries. | -| [QEMU](http://wiki.qemu.org/Main_Page) | QEMU is a generic and open source machine emulator and virtualizer. | -| [re2c](https://re2c.org/) | 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. | -| [SDE](https://software.intel.com/en-us/articles/intel-software-development-emulator) | Intel Software Development Emulator is a pintool that enables the development of applications using instruction set extensions that are not currently implemented in hardware. | -| [Szip](https://www.hdfgroup.org/doc_resource/SZIP/) | Szip compression software, providing lossless compression of scientific data | -| [UnZip](http://www.info-zip.org/UnZip.html) | 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](https://www.kernel.org/pub/linux/utils/util-linux) | Set of Linux utilities | -| [vaspkit](https://vaspkit.com/) | VASPKIT aims at providing a powerful and user-friendly interface to perform high throughput analysis of various material properties from the raw calculated data using the widely-used VASP code. | -| [Vim](http://www.vim.org) | Vim is an advanced text editor that seeks to provide the power of the de-facto Unix editor 'Vi', with a more complete feature set. | -| [VirtualGL](http://www.virtualgl.org) | VirtualGL is an open source toolkit that gives any Unix or Linux remote display software the ability to run OpenGL applications with full 3D hardware acceleration. | -| [VTune](https://software.intel.com/en-us/vtune) | Intel VTune Amplifier XE is the premier performance profiler for C, C++, C#, Fortran, Assembly and Java. | -| [xxd](https://www.vim.org) | xxd is part of the VIM package and this will only install xxd, not vim! xxd converts to/from hexdumps of binary files. | -| [XZ](https://tukaani.org/xz/) | xz: XZ utilities | -| [Z3](https://github.com/Z3Prover/z3) | Z3 is a theorem prover from Microsoft Research. | -| [Zip](http://www.info-zip.org/Zip.html) | 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 | -| ------ | ----------- | -| [at-spi2-atk](https://wiki.gnome.org/Accessibility) | AT-SPI 2 toolkit bridge | -| [at-spi2-core](https://wiki.gnome.org/Accessibility) | Assistive Technology Service Provider Interface. | -| [ATK](https://developer.gnome.org/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. | -| [Blender](https://www.blender.org/) | Blender is the free and open source 3D creation suite. It supports the entirety of the 3D pipeline-modeling, rigging, animation, simulation, rendering, compositing and motion tracking, even video editing and game creation. | -| [bwidget](https://core.tcl-lang.org/bwidget/home) | The BWidget Toolkit is a high-level Widget Set for Tcl/Tk built using native Tcl/Tk 8.x namespaces. | -| [cairo](https://cairographics.org) | 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](https://www.ffmpeg.org/) | A complete, cross-platform solution to record, convert and stream audio and video. | -| [fontconfig](https://www.freedesktop.org/wiki/Software/fontconfig/) | Fontconfig is a library designed to provide system-wide font configuration, customization and application access. | -| [freetype](https://www.freetype.org) | 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](https://developer.gnome.org/gdk-pixbuf/stable/) | 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. | -| [gettext](http://www.gnu.org/software/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 | -| [GLib](https://www.gtk.org/) | GLib is one of the base libraries of the GTK+ project | -| [gnuplot](http://gnuplot.sourceforge.net/) | Portable interactive, function plotting utility | -| [grace](https://plasma-gate.weizmann.ac.il/Grace/) | Grace is a WYSIWYG 2D plotting tool for X Windows System and Motif. | -| [Graphviz](https://www.graphviz.org/) | Graphviz is open source graph visualization software. Graph visualization is a way of representing structural information as diagrams of abstract graphs and networks. It has important applications in networking, bioinformatics, software engineering, database and web design, machine learning, and in visual interfaces for other technical domains. | -| [GST-plugins-base](https://gstreamer.freedesktop.org/) | GStreamer is a library for constructing graphs of media-handling components. The applications it supports range from simple Ogg/Vorbis playback, audio/video streaming to complex audio (mixing) and video (non-linear editing) processing. | -| [GStreamer](https://gstreamer.freedesktop.org/) | GStreamer is a library for constructing graphs of media-handling components. The applications it supports range from simple Ogg/Vorbis playback, audio/video streaming to complex audio (mixing) and video (non-linear editing) processing. | -| [GTK+](https://developer.gnome.org/gtk3/stable/) | 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. | -| [GTK2](https://developer.gnome.org/gtk+/stable/) | The GTK+ 2 package contains libraries used for creating graphical user interfaces for applications. | -| [GTK3](https://developer.gnome.org/gtk3/stable/) | 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. | -| [GTS](http://gts.sourceforge.net/) | GTS stands for the GNU Triangulated Surface Library. It is an Open Source Free Software Library intended to provide a set of useful functions to deal with 3D surfaces meshed with interconnected triangles. | -| [HarfBuzz](https://www.freedesktop.org/wiki/Software/HarfBuzz) | HarfBuzz is an OpenType text shaping engine. | -| [ImageMagick](https://www.imagemagick.org/) | ImageMagick is a software suite to create, edit, compose, or convert bitmap images | -| [JasPer](https://www.ece.uvic.ca/~frodo/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](https://www.cl.cam.ac.uk/~mgk25/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](https://mesa.freedesktop.org/archive/glu/) | The OpenGL Utility Library (GLU) is a computer graphics library for OpenGL. | -| [LittleCMS](https://www.littlecms.com/) | Little CMS intends to be an OPEN SOURCE small-footprint color management engine, with special focus on accuracy and performance. | -| [matplotlib](https://matplotlib.org) | 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](https://www.mesa3d.org/) | Mesa is an open-source implementation of the OpenGL specification - a system for rendering interactive 3D graphics. | -| [motif](https://motif.ics.com/) | Motif refers to both a graphical user interface (GUI) specification and the widget toolkit for building applications that follow that specification under the X Window System on Unix and other POSIX-compliant systems. It was the standard toolkit for the Common Desktop Environment and thus for Unix. | -| [OVITO](https://www.ovito.org/) | OVITO is a scientific visualization and analysis software for atomistic and particle simulation data. | -| [Pango](https://www.pango.org/) | 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](https://www.paraview.org) | ParaView is a scientific parallel visualizer. | -| [Pillow](https://pillow.readthedocs.org/) | Pillow is the 'friendly PIL fork' by Alex Clark and Contributors. PIL is the Python Imaging Library by Fredrik Lundh and Contributors. | -| [pixman](http://www.pixman.org/) | Pixman is a low-level software library for pixel manipulation, providing features such as image local_compositing and trapezoid rasterization. Important users of pixman are the cairo graphics library and the X server. | -| [PyQt5](https://www.riverbankcomputing.com/software/pyqt) | PyQt5 is a set of Python bindings for v5 of the Qt application framework from The Qt Company. This bundle includes PyQtWebEngine, a set of Python bindings for The Qt Company’s Qt WebEngine framework. | -| [QtiPlot](https://www.qtiplot.com/) | QtiPlot is a cross-platform scientific application for data analysis and visualisation. | -| [Tk](https://www.tcl.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. | -| [Togl](https://sourceforge.net/projects/togl/) | A Tcl/Tk widget for OpenGL rendering. | -| [VirtualGL](https://virtualgl.org/) | VirtualGL is an open source toolkit that gives any Linux or Unix remote display software the ability to run OpenGL applications with full hardware acceleration. | -| [VTK](https://www.vtk.org) | The Visualization Toolkit (VTK) is an open-source, freely available software system for 3D computer graphics, image processing and visualization. VTK consists of a C++ class library and several interpreted interface layers including Tcl/Tk, Java, and Python. VTK supports a wide variety of visualization algorithms including: scalar, vector, tensor, texture, and volumetric methods; and advanced modeling techniques such as: implicit modeling, polygon reduction, mesh smoothing, cutting, contouring, and Delaunay triangulation. | -| [Wayland](https://wayland.freedesktop.org/) | 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. | -| [wxWidgets](https://www.wxwidgets.org) | wxWidgets is a C++ library that lets developers create applications for Windows, Mac OS X, Linux and other platforms with a single code base. It has popular language bindings for Python, Perl, Ruby and many other languages, and unlike other cross-platform toolkits, wxWidgets gives applications a truly native look and feel because it uses the platform's native API rather than emulating the GUI. | -| [X11](https://www.x.org) | The X Window System (X11) is a windowing system for bitmap displays | -| [x264](https://www.videolan.org/developers/x264.html) | 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](https://x265.org/) | 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. | -| [XCrySDen](http://www.xcrysden.org/) | XCrySDen is a crystalline and molecular structure visualisation program aiming at display of isosurfaces and contours, which can be superimposed on crystalline structures and interactively rotated and manipulated. It also possesses some tools for analysis of properties in reciprocal space such as interactive selection of k-paths in the Brillouin zone for the band-structure plots, and visualisation of Fermi surfaces. | -| [Xvfb](https://www.x.org/releases/X11R7.6/doc/man/man1/Xvfb.1.xhtml) | 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. |