ADF

Description: ADF is an accurate, parallelized, powerful computational chemistry program to understand and predict chemical structure and reactivity with density functional theory (DFT). Homepage: http://www.scm.com/ADF/

</details>

Advisor

Description: Vectorization Optimization and Thread Prototyping

Homepage: https://software.intel.com/intel-advisor-xe

</details>

Allinea-MAP

Description: Profiler for parallel, multithreaded or single threaded C, C++, Fortran and F90 codes. Homepage: https://www.allinea.com/products/develop-allinea-forge

</details>

Allinea-PerfReports

Description: Single page HTML profiler for parallel programs. Homepage: https://www.allinea.com/products/allinea-performance-reports

</details>

Anaconda2

Description: 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.

Homepage: https://www.continuum.io/anaconda-overview

</details>

Anaconda3

Description: 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.

Homepage: https://www.anaconda.com

</details>

ANTLR

Description: ANTLR, ANother Tool for Language Recognition, (formerly PCCTS) is a language tool that provides a framework for constructing recognizers, compilers, and translators from grammatical descriptions containing Java, C#, C++, or Python actions. Homepage: http://www.antlr2.org/

</details>

APR

Description: Apache Portable Runtime (APR) libraries. Homepage: http://apr.apache.org/

</details>

APR-util

Description: Apache Portable Runtime (APR) util libraries. Homepage: http://apr.apache.org/

</details>

Arm-MAP

Description: Profiler for parallel, multithreaded or single threaded C, C++, Fortran and F90 codes. Homepage: https://developer.arm.com/products/software-development-tools/hpc

</details>

Arm-PerfReports

Description: Single page HTML profiler for parallel programs. Homepage: https://developer.arm.com/products/software-development-tools/hpc

</details>

Armadillo

Description: Armadillo is an open-source C++ linear algebra library (matrix maths) aiming towards a good balance between speed and ease of use. Integer, floating point and complex numbers are supported, as well as a subset of trigonometric and statistics functions. Homepage: http://arma.sourceforge.net/

</details>

arpack-ng

Description: ARPACK is a collection of Fortran77 subroutines designed to solve large scale eigenvalue problems. Homepage: http://forge.scilab.org/index.php/p/arpack-ng/

</details>

ASE

Description: ASE is a python package providing an open source Atomic Simulation Environment in the Python scripting language. Homepage: https://wiki.fysik.dtu.dk/ase

</details>

ATK

Description: 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.

Homepage: https://developer.gnome.org/ATK/stable/

</details>

Autoconf

Description: 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. Homepage: http://www.gnu.org/software/autoconf/

</details>

Automake

Description: Automake: GNU Standards-compliant Makefile generator Homepage: http://www.gnu.org/software/automake/automake.html

</details>

Autotools

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

Homepage: http://autotools.io

</details>

Avogadro

Description: Avogadro is an advanced molecular editor. Homepage: https://sourceforge.net/projects/avogadro/

</details>

basemap

Description: The matplotlib basemap toolkit is a library for plotting 2D data on maps in Python Homepage: http://matplotlib.org/basemap/

</details>

Bazel

Description: Bazel is a build tool that builds code quickly and reliably. It is used to build the majority of Google's software. Homepage: http://bazel.io/

</details>

BEEF

Description: libbeef is a package providing the class of BEEF-vdW functionals and Bayesian error estimates to Fortran- or C-based DFT codes. Homepage: https://github.com/vossjo/libbeef

</details>

binutils

Description: binutils: GNU binary utilities Homepage: http://directory.fsf.org/project/binutils/

</details>

Bison

Description: 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.

Homepage: http://www.gnu.org/software/bison

</details>

BLAST+

Description: Basic Local Alignment Search Tool, or BLAST, is an algorithm for comparing primary biological sequence information, such as the amino-acid sequences of different proteins or the nucleotides of DNA sequences. Homepage: http://blast.ncbi.nlm.nih.gov/

</details>

Boost

Description: Boost provides free peer-reviewed portable C++ source libraries. Homepage: https://www.boost.org/

</details>

bzip2

Description: 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.

Homepage: https://sourceware.org/bzip2

</details>

cairo

Description: 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 Homepage: http://cairographics.org

</details>

CDO

Description: CDO is a collection of command line Operators to manipulate and analyse Climate and NWP model Data. Homepage: https://code.zmaw.de/projects/cdo

</details>

cdsapi

Description: Climate Data Store API Homepage: https://pypi.org/project/cdsapi

</details>

CESM

Description: Community Earth System Model Homepage: http://www.cesm.ucar.edu/

</details>

CFITSIO

Description: CFITSIO is a library of C and Fortran subroutines for reading and writing data files in FITS (Flexible Image Transport System) data format. Homepage: http://heasarc.gsfc.nasa.gov/fitsio/

</details>

cftime

Description: Time-handling functionality from netcdf4-python Homepage: https://github.com/Unidata/cftime

</details>

CFX

Description: Homepage: https://www.ansys.com/products/fluids/ansys-cfx

</details>

CGAL

Description: 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. Homepage: http://www.cgal.org/

</details>

CMake

Description: CMake, the cross-platform, open-source build system. CMake is a family of tools designed to build, test and package software. Homepage: http://www.cmake.org

</details>

CP2K

Description: CP2K is a freely available (GPL) program, written in Fortran 95, to perform atomistic and molecular simulations of solid state, liquid, molecular and biological systems. It provides a general framework for different methods such as e.g. density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW), and classical pair and many-body potentials. Homepage: http://www.cp2k.org/

</details>

CppUnit

Description: CppUnit is the C++ port of the famous JUnit framework for unit testing. Homepage: http://sourceforge.net/projects/cppunit/

</details>

cURL

Description: 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.

Homepage: https://curl.haxx.se

</details>

DBus

Description: 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.

Homepage: http://dbus.freedesktop.org/

</details>

DOLFIN

Description: DOLFIN is the C++/Python interface of FEniCS, providing a consistent PSE (Problem Solving Environment) for ordinary and partial differential equations. Homepage: https://bitbucket.org/fenics-project/dolfin

</details>

double-conversion

Description: Efficient binary-decimal and decimal-binary conversion routines for IEEE doubles. Homepage: https://github.com/google/double-conversion

</details>

Doxygen

Description: 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.

Homepage: https://www.doxygen.org

</details>

EasyBuild

Description: EasyBuild is a software build and installation framework written in Python that allows you to install software in a structured, repeatable and robust way. Homepage: https://easybuilders.github.io/easybuild

</details>

ecCodes

Description: 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). Homepage: https://software.ecmwf.int/wiki/display/ECC/ecCodes+Home

</details>

Eigen

Description: Eigen is a C++ template library for linear algebra: matrices, vectors, numerical solvers, and related algorithms. Homepage: http://eigen.tuxfamily.org/index.php?title=Main_Page

</details>

ELPA

Description: Eigenvalue SoLvers for Petaflop-Applications . Homepage: http://elpa.rzg.mpg.de

</details>

Emacs

Description: GNU Emacs is an extensible, customizable text editor--and more. At its core is an interpreter for Emacs Lisp, a dialect of the Lisp programming language with extensions to support text editing. Homepage: http://www.gnu.org/software/emacs/

</details>

ESMF

Description: The Earth System Modeling Framework (ESMF) is software for building and coupling weather, climate, and related models. Homepage: http://sourceforge.net/projects/esmf

</details>

expat

Description: 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)

Homepage: https://libexpat.github.io

</details>

Ferret

Description: Ferret is an interactive computer visualization and analysis environment designed to meet the needs of oceanographers and meteorologists analyzing large and complex gridded data sets. Homepage: http://ferret.pmel.noaa.gov/

</details>

FFC

Description: FEniCS Form Compiler (FFC) works as a compiler for multilinear forms by generating code (C++) for the evaluation of a multilinear form given in mathematical notation. Homepage: https://bitbucket.org/fenics-project/ffc

</details>

FFmpeg

Description: A complete, cross-platform solution to record, convert and stream audio and video. Homepage: https://www.ffmpeg.org/

</details>

FFTW

Description: 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. Homepage: http://www.fftw.org

</details>

FIAT

Description: The FInite element Automatic Tabulator FIAT supports generation of arbitrary order instances of the Lagrange elements on lines, triangles, and tetrahedra. It is also capable of generating arbitrary order instances of Jacobi-type quadrature rules on the same element shapes. Homepage: https://bitbucket.org/fenics-project/fiat

</details>

fixesproto

Description: X.org FixesProto protocol headers. Homepage: http://www.freedesktop.org/wiki/Software/xlibs

</details>

flex

Description: 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.

Homepage: http://flex.sourceforge.net/

</details>

Fluent

Description: ANSYS FLUENT software contains the broad physical modeling capabilities needed to model flow, turbulence, heat transfer, and reactions for industrial applications ranging from air flow over an aircraft wing to combustion in a furnace, from bubble columns to oil platforms, from blood flow to semiconductor manufacturing, and from clean room design to wastewater treatment plants. Homepage: http://www.ansys.com/Products/Simulation+Technology/Fluid+Dynamics/Fluid+Dynamics+Products/ANSYS+Fluent

</details>

FLUENT

Description: ANSYS FLUENT software contains the broad physical modeling capabilities needed to model flow, turbulence, heat transfer, and reactions for industrial applications ranging from air flow over an aircraft wing to combustion in a furnace, from bubble columns to oil platforms, from blood flow to semiconductor manufacturing, and from clean room design to wastewater treatment plants. Homepage: http://www.ansys.com/Products/Simulation+Technology/Fluid+Dynamics/Fluid+Dynamics+Products/ANSYS+Fluent

</details>

fontconfig

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

Homepage: https://www.freedesktop.org/wiki/Software/fontconfig/

</details>

foss

Description: GNU Compiler Collection (GCC) based compiler toolchain, including OpenMPI for MPI support, OpenBLAS (BLAS and LAPACK support), FFTW and ScaLAPACK. Homepage: https://easybuild.readthedocs.io/en/master/Common-toolchains.html#foss-toolchain

</details>

freeglut

Description: freeglut is a completely OpenSourced alternative to the OpenGL Utility Toolkit (GLUT) library. Homepage: http://freeglut.sourceforge.net/

</details>

freetype

Description: 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.

Homepage: http://freetype.org

</details>

FriBidi

Description: The Free Implementation of the Unicode Bidirectional Algorithm.

Homepage: https://github.com/fribidi/fribidi

</details>

g2clib

Description: Library contains GRIB2 encoder/decoder ('C' version). Homepage: http://www.nco.ncep.noaa.gov/pmb/codes/GRIB2/

</details>

g2lib

Description: Library contains GRIB2 encoder/decoder and search/indexing routines. Homepage: http://www.nco.ncep.noaa.gov/pmb/codes/GRIB2/

</details>

Gaussian

Description: The Gaussian series of electronic structure programs provides a wide-ranging suite of the most advanced modeling capabilities available. You can use it to investigate the real-world chemical problems that interest you, in all of their complexity, even on modest computer hardware. Homepage: http://gaussian.com

</details>

GaussView

Description: The Gaussian series of electronic structure programs provides a wide-ranging suite of the most advanced modeling capabilities available. You can use it to investigate the real-world chemical problems that interest you, in all of their complexity, even on modest computer hardware. Homepage: http://gaussian.com

</details>

gc

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

Homepage: http://hboehm.info/gc/

</details>

GCC

Description: 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,...). Homepage: http://gcc.gnu.org/

</details>

GCCcore

Description: 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,...). Homepage: http://gcc.gnu.org/

</details>

GDAL

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

</details>

Gdk-Pixbuf

Description: 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.

Homepage: https://developer.gnome.org/gdk-pixbuf/stable/

</details>

GEOS

Description: GEOS (Geometry Engine Homepage: https://trac.osgeo.org/geos

</details>

gettext

Description: 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 Homepage: https://www.gnu.org/software/gettext/

</details>

Ghostscript

Description: 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. Homepage: http://ghostscript.com

</details>

git

Description: 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. Homepage: https://git-scm.com/

</details>

GL2PS

Description: GL2PS: an OpenGL to PostScript printing library Homepage: http://www.geuz.org/gl2ps/

</details>

GLib

Description: GLib is one of the base libraries of the GTK+ project Homepage: https://www.gtk.org/

</details>

GMP

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

Homepage: https://gmplib.org/

</details>

gmsh

Description: Gmsh is a 3D finite element grid generator with a build-in CAD engine and post-processor. Homepage: http://geuz.org/gmsh

</details>

Go

Description: Go is an open source programming language that makes it easy to build simple, reliable, and efficient software. Homepage: http://www.golang.org

</details>

GObject-Introspection

Description: 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. Homepage: https://wiki.gnome.org/GObjectIntrospection/

</details>

gompi

Description: GNU Compiler Collection (GCC) based compiler toolchain, including OpenMPI for MPI support. Homepage: (none)

</details>

GPAW

Description: GPAW is a density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE). It uses real-space uniform grids and multigrid methods or atom-centered basis-functions. Homepage: https://wiki.fysik.dtu.dk/gpaw/

</details>

GPAW-setups

Description: PAW setup for the GPAW Density Functional Theory package. Users can install setups manually using 'gpaw install-data' or use setups from this package. The versions of GPAW and GPAW-setups can be intermixed. Homepage: https://wiki.fysik.dtu.dk/gpaw/

</details>

gperf

Description: 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.

Homepage: https://www.gnu.org/software/gperf/

</details>

grib_api

Description: The ECMWF GRIB API is an application program interface accessible from C, FORTRAN and Python programs developed for encoding and decoding WMO FM-92 GRIB edition 1 and edition 2 messages. A useful set of command line tools is also provided to give quick access to GRIB messages. Homepage: https://software.ecmwf.int/wiki/display/GRIB/Home

</details>

GROMACS

Description: GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.

This is a CPU only build, containing both MPI and threadMPI builds.

Homepage: http://www.gromacs.org

</details>

GSL

Description: 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. Homepage: https://www.gnu.org/software/gsl/

</details>

GTK+

Description: The GTK+ 2 package contains libraries used for creating graphical user interfaces for applications.

Homepage: https://developer.gnome.org/gtk+/stable/

</details>

gtkglext

Description: GtkGLExt is an OpenGL extension to GTK+. Homepage: https://projects.gnome.org/gtkglext

</details>

Guile

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

Homepage: https://www.gnu.org/software/guile/

</details>

gzip

Description: gzip (GNU zip) is a popular data compression program as a replacement for compress Homepage: http://www.gnu.org/software/gzip/

</details>

h5py

Description: 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. Homepage: http://www.h5py.org/

</details>

HarfBuzz

Description: HarfBuzz is an OpenType text shaping engine. Homepage: http://www.freedesktop.org/wiki/Software/HarfBuzz

</details>

HDF

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

Homepage: http://www.hdfgroup.org/products/hdf4/

</details>

HDF5

Description: 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. Homepage: https://support.hdfgroup.org/HDF5/

</details>

help2man

Description: help2man produces simple manual pages from the '--help' and '--version' output of other commands. Homepage: https://www.gnu.org/software/help2man/

</details>

HPL

Description: HPL is a software package that solves a (random) dense linear system in double precision (64 bits) arithmetic on distributed-memory computers. It can thus be regarded as a portable as well as freely available implementation of the High Performance Computing Linpack Benchmark. Homepage: http://www.netlib.org/benchmark/hpl/

</details>

hwloc

Description: 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.

Homepage: http://www.open-mpi.org/projects/hwloc/

</details>

Hypre

Description: 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. Homepage: https://computation.llnl.gov/projects/hypre-scalable-linear-solvers-multigrid-methods

</details>

icc

Description: Intel C and C++ compilers Homepage: http://software.intel.com/en-us/intel-compilers/

</details>

iccifort

Description: Intel C, C++ & Fortran compilers Homepage: http://software.intel.com/en-us/intel-compilers/

</details>

ICU

Description: ICU is a mature, widely used set of C/C++ and Java libraries providing Unicode and Globalization support for software applications. Homepage: http://site.icu-project.org/home

</details>

ifort

Description: Intel Fortran compiler Homepage: http://software.intel.com/en-us/intel-compilers/

</details>

iimpi

Description: Intel C/C++ and Fortran compilers, alongside Intel MPI. Homepage: http://software.intel.com/en-us/intel-cluster-toolkit-compiler/

</details>

ImageMagick

Description: ImageMagick is a software suite to create, edit, compose, or convert bitmap images Homepage: http://www.imagemagick.org/

</details>

imkl

Description: Intel Math Kernel Library is a library of highly optimized, extensively threaded math routines for science, engineering, and financial applications that require maximum performance. Core math functions include BLAS, LAPACK, ScaLAPACK, Sparse Solvers, Fast Fourier Transforms, Vector Math, and more. Homepage: http://software.intel.com/en-us/intel-mkl/

</details>

impi

Description: The Intel(R) MPI Library for Linux OS is a multi-fabric message passing library based on ANL MPICH2 and OSU MVAPICH2. The Intel MPI Library for Linux OS implements the Message Passing Interface, version 3.0 (MPI-3) specification. *Homepage: http://software.intel.com/en-us/intel-mpi-library/

</details>

Inspector

Description: Intel Inspector XE is an easy to use memory error checker and thread checker for serial and parallel applications Homepage: https://software.intel.com/en-us/intel-inspector-xe

</details>

Instant

Description: Instant is a Python module that allows for instant inlining of C and C++ code in Python. It is a small Python module built on top of SWIG and Distutils. Homepage: https://bitbucket.org/fenics-project/instant

</details>

intel

Description: Compiler toolchain including Intel compilers, Intel MPI and Intel Math Kernel Library (MKL). Homepage: https://easybuild.readthedocs.io/en/master/Common-toolchains.html#intel-toolchain

</details>

intltool

Description: intltool is a set of tools to centralize translation of many different file formats using GNU gettext-compatible PO files. Homepage: http://freedesktop.org/wiki/Software/intltool/

</details>

iomkl

Description: Intel Cluster Toolchain Compiler Edition provides Intel C/C++ and Fortran compilers, Intel MKL & OpenMPI. Homepage: http://software.intel.com/en-us/intel-cluster-toolkit-compiler/

</details>

iompi

Description: Intel C/C++ and Fortran compilers, alongside Open MPI. Homepage: http://software.intel.com/en-us/intel-cluster-toolkit-compiler/

</details>

ipp

Description: Intel Integrated Performance Primitives (Intel IPP) is an extensive library of multicore-ready, highly optimized software functions for multimedia, data processing, and communications applications. Intel IPP offers thousands of optimized functions covering frequently used fundamental algorithms. Homepage: http://software.intel.com/en-us/articles/intel-ipp/

</details>

itac

Description: The Intel Trace Collector is a low-overhead tracing library that performs event-based tracing in applications. The Intel Trace Analyzer provides a convenient way to monitor application activities gathered by the Intel Trace Collector through graphical displays. Homepage: http://software.intel.com/en-us/intel-trace-analyzer/

</details>

JAGS

Description: JAGS is Just Another Gibbs Sampler. It is a program for analysis of Bayesian hierarchical models using Markov Chain Monte Carlo (MCMC) simulation Homepage: http://mcmc-jags.sourceforge.net/

</details>

JasPer

Description: 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.

Homepage: https://www.ece.uvic.ca/~frodo/jasper/

</details>

Java

Description: Java Platform, Standard Edition (Java SE) lets you develop and deploy Java applications on desktops and servers. Homepage: http://openjdk.java.net

</details>

Julia

Description: Julia as an open source high performance programming language. Homepage: https://julialang.org/

</details>

Keras

Description: Keras is a minimalist, highly modular neural networks library, written in Python and capable of running on top of either TensorFlow or Theano. Homepage: https://keras.io/

</details>

LAME

Description: LAME is a high quality MPEG Audio Layer III (MP3) encoder licensed under the LGPL. Homepage: http://lame.sourceforge.net/

</details>

LAMMPS

Description: LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) is a classical molecular dynamics simulation code designed to run efficiently on parallel computers. Homepage: http://lammps.sandia.gov/

</details>

LAPACK

Description: LAPACK is written in Fortran90 and provides routines for solving systems of simultaneous linear equations, least-squares solutions of linear systems of equations, eigenvalue problems, and singular value problems. Homepage: http://www.netlib.org/lapack/

</details>

libdap

Description: A C++ SDK which contains an implementation of DAP 2.0 and the development versions of DAP3, up to 3.4. This includes both Client- and Server-side support classes. Homepage: http://opendap.org/download/libdap

</details>

libdrm

Description: Direct Rendering Manager runtime library. Homepage: http://dri.freedesktop.org

</details>

libevent

Description: 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.

Homepage: https://libevent.org/

</details>

libffi

Description: 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. Homepage: http://sourceware.org/libffi/

</details>

libgeotiff

Description: Library for reading and writing coordinate system information from/to GeoTIFF files Homepage: https://directory.fsf.org/wiki/Libgeotiff

</details>

libGLU

Description: The OpenGL Utility Library (GLU) is a computer graphics library for OpenGL. Homepage: ftp://ftp.freedesktop.org/pub/mesa/glu/

</details>

libibumad

Description: libibumad is the umad kernel interface library. Homepage: http://www.openfabrics.org

</details>

libibverbs

Description: libibverbs is a library that allows programs to use RDMA "verbs" for direct access to RDMA (currently InfiniBand and iWARP) hardware from userspace. Homepage: http://www.openfabrics.org/downloads/libibverbs/

</details>

libiconv

Description: Libiconv converts from one character encoding to another through Unicode conversion Homepage: https://www.gnu.org/software/libiconv

</details>

Libint

Description: Libint library is used to evaluate the traditional (electron repulsion) and certain novel two-body matrix elements (integrals) over Cartesian Gaussian functions used in modern atomic and molecular theory. Homepage: https://sourceforge.net/p/libint/

</details>

libjpeg-turbo

Description: 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.

Homepage: https://sourceforge.net/projects/libjpeg-turbo/

</details>

libmatheval

Description: GNU libmatheval is a library (callable from C and Fortran) to parse and evaluate symbolic expressions input as text. Homepage: http://www.gnu.org/software/libmatheval/

</details>

libpng

Description: libpng is the official PNG reference library Homepage: http://www.libpng.org/pub/png/libpng.html

</details>

libpthread-stubs

Description: The X protocol C-language Binding (XCB) is a replacement for Xlib featuring a small footprint, latency hiding, direct access to the protocol, improved threading support, and extensibility. Homepage: http://xcb.freedesktop.org/

</details>

libreadline

Description: 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.

Homepage: https://tiswww.case.edu/php/chet/readline/rltop.html

</details>

libsndfile

Description: 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. Homepage: http://www.mega-nerd.com/libsndfile

</details>

libsodium

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

Homepage: https://doc.libsodium.org/

</details>

libspatialindex

Description: C++ implementation of R*-tree, an MVR-tree and a TPR-tree with C API

Homepage: http://libspatialindex.github.io

</details>

LibTIFF

Description: tiff: Library and tools for reading and writing TIFF data files Homepage: http://www.remotesensing.org/libtiff/

</details>

libtirpc

Description: Libtirpc is a port of Suns Transport-Independent RPC library to Linux. Homepage: https://sourceforge.net/projects/libtirpc/

</details>

libtool

Description: GNU libtool is a generic library support script. Libtool hides the complexity of using shared libraries behind a consistent, portable interface. Homepage: http://www.gnu.org/software/libtool

</details>

libunistring

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

Homepage: http://www.gnu.org/software/libunistring/

</details>

libunwind

Description: 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 Homepage: https://www.nongnu.org/libunwind/

</details>

LibUUID

Description: Portable uuid C library Homepage: http://sourceforge.net/projects/libuuid/

</details>

libXau

Description: The libXau package contains a library implementing the X11 Authorization Protocol. This is useful for restricting client access to the display. Homepage: http://www.freedesktop.org/wiki/Software/xlibs

</details>

libxc

Description: 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. Homepage: http://www.tddft.org/programs/octopus/wiki/index.php/Libxc

</details>

libXfixes

Description: X Fixes extension library Homepage: http://www.freedesktop.org/wiki/Software/xlibs

</details>

libxml2

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

Homepage: http://xmlsoft.org/

</details>

libxsmm

Description: LIBXSMM is a library for small dense and small sparse matrix-matrix multiplications targeting Intel Architecture (x86). Homepage: https://github.com/hfp/libxsmm

</details>

libyaml

Description: LibYAML is a YAML parser and emitter written in C. Homepage: http://pyyaml.org/wiki/LibYAML

</details>

LittleCMS

Description: Little CMS intends to be an OPEN SOURCE small-footprint color management engine, with special focus on accuracy and performance. Homepage: http://www.littlecms.com/

</details>

LLVM

Description: 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. Homepage: http://llvm.org/

</details>

LMDB

Description: 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. Homepage: https://symas.com/lmdb

</details>

lz4

Description: 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. Homepage: https://lz4.github.io/lz4/

</details>

M4

Description: 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.

Homepage: http://www.gnu.org/software/m4/m4.html

</details>

makedepend

Description: The makedepend package contains a C-preprocessor like utility to determine build-time dependencies. Homepage: http://www.linuxfromscratch.org/blfs/view/svn/x/makedepend.html

</details>

Mako

Description: A super-fast templating language that borrows the best ideas from the existing templating languages Homepage: http://www.makotemplates.org

</details>

MATLAB

Description: MATLAB is a high-level language and interactive environment that enables you to perform computationally intensive tasks faster than with traditional programming languages such as C, C++, and Fortran. Homepage: http://www.mathworks.com/products/matlab

</details>

matplotlib

Description: 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. Homepage: https://matplotlib.org

</details>

Mercurial

Description: Mercurial is a free, distributed source control management tool. It efficiently handles projects of any size and offers an easy and intuitive interface.

Homepage: https://www.mercurial-scm.org/

</details>

Mesa

Description: Mesa is an open-source implementation of the OpenGL specification - a system for rendering interactive 3D graphics. Homepage: https://www.mesa3d.org/

</details>

Meson

Description: Meson is a cross-platform build system designed to be both as fast and as user friendly as possible. Homepage: https://mesonbuild.com

</details>

Mesquite

Description: Mesh-Quality Improvement Library Homepage: https://software.sandia.gov/mesquite/

</details>

METIS

Description: 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. Homepage: http://glaros.dtc.umn.edu/gkhome/metis/metis/overview

</details>

Molden

Description: Molden is a package for displaying Molecular Density from the Ab Initio packages GAMESS-UK, GAMESS-US and GAUSSIAN and the Semi-Empirical packages Mopac/Ampac Homepage: http://www.cmbi.ru.nl/molden/

</details>

MPFR

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

Homepage: http://www.mpfr.org

</details>

mpmath

Description: mpmath can be used as an arbitrary-precision substitute for Python's float/complex types and math/cmath modules, but also does much more advanced mathematics. Almost any calculation can be performed just as well at 10-digit or 1000-digit precision, with either real or complex numbers, and in many cases mpmath implements efficient algorithms that scale well for extremely high precision work. Homepage: http://mpmath.org/

</details>

MTL4

Description: The Matrix Template Library 4 incorporates the most modern programming techniques to provide an easy and intuitive interface to users while enabling optimal performance. The natural mathematical notation in MTL4 empowers all engineers and scientists to implement their algorithms and models in minimal time. All technical aspects are encapsulated in the library. Homepage: http://www.simunova.com/mtl4

</details>

MUMPS

Description: A parallel sparse direct solver Homepage: http://graal.ens-lyon.fr/MUMPS/

</details>

NAMD

Description: NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. Homepage: http://www.ks.uiuc.edu/Research/namd/

</details>

NASM

Description: NASM: General-purpose x86 assembler Homepage: https://www.nasm.us/

</details>

NBO7

Description: NBO7 is the most recent version of a program suite aimed at analysing natural bond order in different outputs: The NBO program performs the analysis of a many-electron molecular wavefunction in terms of localized electron-pair bonding units. Homepage: http://nbo6.chem.wisc.edu

</details>

ncdu

Description: Ncdu is a disk usage analyzer with an ncurses interface. It is designed to find space hogs on a remote server where you don't have an entire graphical setup available, but it is a useful tool even on regular desktop systems. Ncdu aims to be fast, simple and easy to use, and should be able to run in any minimal POSIX-like environment with ncurses installed. Homepage: https://dev.yorhel.nl/ncdu

</details>

NCL

Description: NCL is an interpreted language designed specifically for scientific data analysis and visualization. Homepage: http://www.ncl.ucar.edu

</details>

NCO

Description: manipulates and analyzes data stored in netCDF-accessible formats, including DAP, HDF4, and HDF5 Homepage: http://nco.sourceforge.net

</details>

ncurses

Description: 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.

Homepage: http://www.gnu.org/software/ncurses/

</details>

ncview

Description: Ncview is a visual browser for netCDF format files. Typically you would use ncview to get a quick and easy, push-button look at your netCDF files. You can view simple movies of the data, view along various dimensions, take a look at the actual data values, change color maps, invert the data, etc. Homepage: http://meteora.ucsd.edu/~pierce/ncview_home_page.html

</details>

netCDF

Description: 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. Homepage: https://www.unidata.ucar.edu/software/netcdf/

</details>

netCDF-C++4

Description: 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. Homepage: http://www.unidata.ucar.edu/software/netcdf/

</details>

netCDF-Fortran

Description: 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. Homepage: http://www.unidata.ucar.edu/software/netcdf/

</details>

netcdf4-python

Description: Python/numpy interface to netCDF. Homepage: https://unidata.github.io/netcdf4-python/

</details>

nettle

Description: 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. Homepage: http://www.lysator.liu.se/~nisse/nettle/

</details>

NEURON

Description: Empirically-based simulations of neurons and networks of neurons. Homepage: http://www.neuron.yale.edu/neuron

</details>

Ninja

Description: Ninja is a small build system with a focus on speed. Homepage: https://ninja-build.org/

</details>

NLopt

Description: 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. Homepage: http://ab-initio.mit.edu/wiki/index.php/NLopt

</details>

NSPR

Description: Netscape Portable Runtime (NSPR) provides a platform-neutral API for system level and libc-like functions. Homepage: https://developer.mozilla.org/en-US/docs/Mozilla/Projects/NSPR

</details>

NSS

Description: Network Security Services (NSS) is a set of libraries designed to support cross-platform development of security-enabled client and server applications. Homepage: https://developer.mozilla.org/en-US/docs/Mozilla/Projects/NSS

</details>

numactl

Description: 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.

Homepage: http://oss.sgi.com/projects/libnuma/

</details>

NWChem

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

</details>

OpenBabel

Description: Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. Homepage: http://openbabel.org

</details>

OpenBLAS

Description: OpenBLAS is an optimized BLAS library based on GotoBLAS2 1.13 BSD version. Homepage: http://xianyi.github.com/OpenBLAS/

</details>

OpenFOAM

Description: 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. Homepage: http://www.openfoam.com/

</details>

OpenFOAM-Extend

Description: 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. Homepage: http://www.extend-project.de/

</details>

OpenMPI

Description: The Open MPI Project is an open source MPI-3 implementation. Homepage: https://www.open-mpi.org/

</details>

OpenPGM

Description: 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.

Homepage: http://code.google.com/p/openpgm/

</details>

OpenSSL

Description: 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. Homepage: http://www.openssl.org/

</details>

p7zip

Description: p7zip is a quick port of 7z.exe and 7za.exe (command line version of 7zip) for Unix. 7-Zip is a file archiver with highest compression ratio. Homepage: http://p7zip.sourceforge.net/

</details>

Pandoc

Description: If you need to convert files from one markup format into another, pandoc is your swiss-army knife Homepage: http://pandoc.org

</details>

Pango

Description: 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. Homepage: http://www.pango.org/

</details>

pangox-compat

Description: PangoX compatibility library Homepage: https://github.com/GNOME/pangox-compat

</details>

ParaView

Description: ParaView is a scientific parallel visualizer. Homepage: http://www.paraview.org

</details>

ParMETIS

Description: ParMETIS is an MPI-based parallel library that implements a variety of algorithms for partitioning unstructured graphs, meshes, and for computing fill-reducing orderings of sparse matrices. ParMETIS extends the functionality provided by METIS and includes routines that are especially suited for parallel AMR computations and large scale numerical simulations. The algorithms implemented in ParMETIS are based on the parallel multilevel k-way graph-partitioning, adaptive repartitioning, and parallel multi-constrained partitioning schemes. Homepage: http://glaros.dtc.umn.edu/gkhome/metis/parmetis/overview

</details>

ParMGridGen

Description: ParMGridGen is an MPI-based parallel library that is based on the serial package MGridGen, that implements (serial) algorithms for obtaining a sequence of successive coarse grids that are well-suited for geometric multigrid methods. Homepage: http://www-users.cs.umn.edu/~moulitsa/software.html

</details>

patchelf

Description: PatchELF is a small utility to modify the dynamic linker and RPATH of ELF executables. Homepage: http://nixos.org/patchelf.html

</details>

PCRE

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

Homepage: https://www.pcre.org/

</details>

PCRE2

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

Homepage: https://www.pcre.org/

</details>

Perl

Description: Larry Wall's Practical Extraction and Report Language Homepage: https://www.perl.org/

</details>

PETSc

Description: 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. Homepage: http://www.mcs.anl.gov/petsc

</details>

petsc4py

Description: petsc4py are Python bindings for PETSc, the Portable, Extensible Toolchain for Scientific Computation. Homepage: https://bitbucket.org/petsc/petsc4py

</details>

PGI

Description: C, C++ and Fortran compilers from The Portland Group Homepage: http://www.pgroup.com/

</details>

pigz

Description: 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 compressing data. pigz was written by Mark Adler, and uses the zlib and pthread libraries.

Homepage: http://zlib.net/pigz/

</details>

PIL

Description: The Python Imaging Library (PIL) adds image processing capabilities to your Python interpreter. This library supports many file formats, and provides powerful image processing and graphics capabilities. Homepage: http://www.pythonware.com/products/pil

</details>

pixman

Description: 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.

Homepage: http://www.pixman.org/

</details>

pkg-config

Description: pkg-config is a helper tool used when compiling applications and libraries. It helps you insert the correct compiler options on the command line so an application can use gcc -o test test.c pkg-config --libs --cflags glib-2.0 for instance, rather than hard-coding values on where to find glib (or other libraries). Homepage: http://www.freedesktop.org/wiki/Software/pkg-config/

</details>

pkgconfig

Description: pkgconfig is a Python module to interface with the pkg-config command line tool Homepage: https://github.com/matze/pkgconfig

</details>

PLUMED

Description: PLUMED is an open source library for free energy calculations in molecular systems which works together with some of the most popular molecular dynamics engines. Free energy calculations can be performed as a function of many order parameters with a particular focus on biological problems, using state of the art methods such as metadynamics, umbrella sampling and Jarzynski-equation based steered MD. The software, written in C++, can be easily interfaced with both fortran and C/C++ codes.

Homepage: http://www.plumed-code.org

</details>

PLY

Description: PLY is yet another implementation of lex and yacc for Python. Homepage: http://www.dabeaz.com/ply/

</details>

PnetCDF

Description: Parallel netCDF: A Parallel I/O Library for NetCDF File Access Homepage: https://trac.mcs.anl.gov/projects/parallel-netcdf

</details>

pompi

Description: Toolchain with PGI C, C++ and Fortran compilers, alongside OpenMPI. Homepage: http://www.pgroup.com/index.htm

</details>

PROJ

Description: Program proj is a standard Unix filter function which converts geographic longitude and latitude coordinates into cartesian coordinates Homepage: https://proj.org

</details>

protobuf

Description: Google Protocol Buffers Homepage: https://github.com/google/protobuf/

</details>

Python

Description: Python is a programming language that lets you work more quickly and integrate your systems more effectively. Homepage: http://python.org/

</details>

PyYAML

Description: PyYAML is a YAML parser and emitter for the Python programming language. Homepage: https://pypi.python.org/pypi/PyYAML/

</details>

Qt

Description: Qt is a comprehensive cross-platform C++ application framework. Homepage: http://qt.io/

</details>

Qt5

Description: Qt is a comprehensive cross-platform C++ application framework. Homepage: https://qt.io/

</details>

QuantumESPRESSO

Description: 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).

Homepage: https://www.quantum-espresso.org

</details>

R

Description: R is a free software environment for statistical computing and graphics. Homepage: http://www.r-project.org/

</details>

re2c

Description: 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. Homepage: https://re2c.org/

</details>

ROOT

Description: The ROOT system provides a set of OO frameworks with all the functionality needed to handle and analyze large amounts of data in a very efficient way. Homepage: http://root.cern.ch/drupal/

</details>

Rosetta

Description: Rosetta is the premier software suite for modeling macromolecular structures. As a flexible, multi-purpose application, it includes tools for structure prediction, design, and remodeling of proteins and nucleic acids. Homepage: https://www.rosettacommons.org

</details>

ScaLAPACK

Description: The ScaLAPACK (or Scalable LAPACK) library includes a subset of LAPACK routines redesigned for distributed memory MIMD parallel computers. Homepage: http://www.netlib.org/scalapack/

</details>

ScientificPython

Description: ScientificPython is a collection of Python modules for scientific computing. It contains support for geometry, mathematical functions, statistics, physical units, IO, visualization, and parallelization. Homepage: https://sourcesup.cru.fr/projects/scientific-py/

</details>

SciPy-bundle

Description: Bundle of Python packages for scientific software Homepage: https://python.org/

</details>

SCons

Description: SCons is a software construction tool. Homepage: https://www.scons.org/

</details>

SCOTCH

Description: Software package and libraries for sequential and parallel graph partitioning, static mapping, and sparse matrix block ordering, and sequential mesh and hypergraph partitioning. Homepage: http://gforge.inria.fr/projects/scotch/

</details>

Serf

Description: The serf library is a high performance C-based HTTP client library built upon the Apache Portable Runtime (APR) library Homepage: http://serf.apache.org/

</details>

SLEPc

Description: SLEPc (Scalable Library for Eigenvalue Problem Computations) is a software library for the solution of large scale sparse eigenvalue problems on parallel computers. It is an extension of PETSc and can be used for either standard or generalized eigenproblems, with real or complex arithmetic. It can also be used for computing a partial SVD of a large, sparse, rectangular matrix, and to solve quadratic eigenvalue problems. Homepage: http://www.grycap.upv.es/slepc/

</details>

slepc4py

Description: Python bindings for SLEPc, the Scalable Library for Eigenvalue Problem Computations. Homepage: https://bitbucket.org/slepc/slepc4py

</details>

snappy

Description: 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. Homepage: https://github.com/google/snappy

</details>

Sphinx

Description: Sphinx is a tool that makes it easy to create intelligent and beautiful documentation. It was originally created for the new Python documentation, and it has excellent facilities for the documentation of Python projects, but C/C++ is already supported as well, and it is planned to add special support for other languages as well. Homepage: http://sphinx.pocoo.org/

</details>

SQLite

Description: SQLite: SQL Database Engine in a C Library Homepage: http://www.sqlite.org/

</details>

STAR-CCM+

Description: STAR-CCM+ is a complete multidisciplinary platform for the simulation of products and designs operating under real-world conditions.

Homepage: https://mdx.plm.automation.siemens.com/star-ccm-plus

</details>

Subversion

Description: Subversion is an open source version control system. Homepage: http://subversion.apache.org/

</details>

SuiteSparse

Description: SuiteSparse is a collection of libraries manipulate sparse matrices. Homepage: http://faculty.cse.tamu.edu/davis/suitesparse.html

</details>

SWIG

Description: SWIG is a software development tool that connects programs written in C and C++ with a variety of high-level programming languages. Homepage: http://www.swig.org/

</details>

sympy

Description: SymPy is a Python library for symbolic mathematics. It aims to become a full-featured computer algebra system (CAS) while keeping the code as simple as possible in order to be comprehensible and easily extensible. SymPy is written entirely in Python and does not require any external libraries. Homepage: http://sympy.org/

</details>

Szip

Description: Szip compression software, providing lossless compression of scientific data

Homepage: https://www.hdfgroup.org/doc_resource/SZIP/

</details>

tbb

Description: Intel Threading Building Blocks (Intel TBB) is a widely used, award-winning C++ template library for creating reliable, portable, and scalable parallel applications. Use Intel TBB for a simple and rapid way of developing robust task-based parallel applications that scale to available processor cores, are compatible with multiple environments, and are easier to maintain. Intel TBB is the most proficient way to implement future-proof parallel applications that tap into the power and performance of multicore and manycore hardware platforms.

Homepage: http://software.intel.com/en-us/articles/intel-tbb/

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Tcl

Description: 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.

Homepage: https://www.tcl.tk/

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TensorFlow

Description: An open-source software library for Machine Intelligence Homepage: https://www.tensorflow.org/

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Theano

Description: Theano is a Python library that allows you to define, optimize, and evaluate mathematical expressions involving multi-dimensional arrays efficiently. Homepage: http://deeplearning.net/software/theano

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Tk

Description: 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. Homepage: https://www.tcl.tk/

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Tkinter

Description: Tkinter module, built with the Python buildsystem Homepage: https://python.org/

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TotalView

Description: TotalView is a GUI-based source code defect analysis tool that gives you unprecedented control over processes and thread execution and visibility into program state and variables. It allows you to debug one or many processes and/or threads in a single window with complete control over program execution. This allows you to set breakpoints, stepping line by line through the code on a single thread, or with coordinated groups of processes or threads, and run or halt arbitrary sets of processes or threads. You can reproduce and troubleshoot difficult problems that can occur in concurrent programs that take advantage of threads, OpenMP, MPI, GPUs or coprocessors. Homepage: http://www.roguewave.com/products/totalview.aspx

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Trilinos

Description: The Trilinos Project is an effort to develop algorithms and enabling technologies within an object-oriented software framework for the solution of large-scale, complex multi-physics engineering and scientific problems. A unique design feature of Trilinos is its focus on packages. Homepage: http://trilinos.sandia.gov/

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TURBOMOLE

Description: TURBOMOLE is a quantum chemical program package, initially developed in the group of Prof. Dr. Reinhart Ahlrichs at the University of Karlsruhe and at the Forschungszentrum Karlsruhe. Presently TURBOMOLE is one of the fastest and most stable codes available for standard quantum chemical applications. Unlike many other programs, the main focus in the development of TURBOMOLE has not been to implement all new methods and functionals, but to provide a fast and stable code which is able to treat molecules of industrial relevance at reasonable time and memory requirements. Homepage: http://www.turbomole.com/

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UDUNITS

Description: UDUNITS supports conversion of unit specifications between formatted and binary forms, arithmetic manipulation of units, and conversion of values between compatible scales of measurement. Homepage: http://www.unidata.ucar.edu/software/udunits/

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UFL

Description: The Unified Form Language (UFL) is a domain specific language for declaration of finite element discretizations of variational forms. More precisely, it defines a flexible interface for choosing finite element spaces and defining expressions for weak forms in a notation close to mathematical notation. Homepage: https://launchpad.net/ufl

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utf8proc

Description: utf8proc is a small, clean C library that provides Unicode normalization, case-folding, and other operations for data in the UTF-8 encoding. Homepage: https://github.com/JuliaStrings/utf8proc

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util-linux

Description: Set of Linux utilities Homepage: https://www.kernel.org/pub/linux/utils/util-linux

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Valgrind

Description: Valgrind: Debugging and profiling tools Homepage: http://valgrind.org

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VASP

Description: The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles. Homepage: http://www.vasp.at

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Vim

Description: 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. Homepage: http://www.vim.org

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VisIt

Description: VisIt is an Open Source, interactive, scalable, visualization, animation and analysis tool. Homepage: https://wci.llnl.gov/simulation/computer-codes/visit/

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VTK

Description: 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. Homepage: http://www.vtk.org

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VTune

Description: Intel VTune Amplifier XE is the premier performance profiler for C, C++, C#, Fortran, Assembly and Java. Homepage: https://software.intel.com/en-us/vtune

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Wannier90

Description: A tool for obtaining maximally-localised Wannier functions Homepage: http://www.wannier.org

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wheel

Description: A built-package format for Python. Homepage: https://pypi.python.org/pypi/wheel

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WPS

Description: WRF Preprocessing System (WPS) for WRF. 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. Homepage: http://www.wrf-model.org

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WRF

Description: 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. Homepage: http://www.wrf-model.org

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X11

Description: The X Window System (X11) is a windowing system for bitmap displays Homepage: https://www.x.org

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x264

Description: 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.

Homepage: http://www.videolan.org/developers/x264.html

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x265

Description: 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.

Homepage: http://x265.org/

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xextproto

Description: XExtProto protocol headers. Homepage: http://www.freedesktop.org/wiki/Software/xlibs

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XML-Parser

Description: This is a Perl extension interface to James Clark's XML parser, expat. Homepage: http://search.cpan.org/~toddr/XML-Parser-2.41/

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xorg-macros

Description: X.org macros utilities. Homepage: http://cgit.freedesktop.org/xorg/util/macros

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xproto

Description: X protocol and ancillary headers Homepage: http://www.freedesktop.org/wiki/Software/xlibs

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xtrans

Description: xtrans includes a number of routines to make X implementations transport-independent; at time of writing, it includes support for UNIX sockets, IPv4, IPv6, and DECnet.

Homepage: http://www.freedesktop.org/wiki/Software/xlibs

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XZ

Description: xz: XZ utilities Homepage: https://tukaani.org/xz/

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Yasm

Description: Yasm: Complete rewrite of the NASM assembler with BSD license Homepage: http://www.tortall.net/projects/yasm/

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YAXT

Description: Yet Another eXchange Tool Homepage: https://www.dkrz.de/redmine/projects/yaxt

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ZeroMQ

Description: 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. You can connect sockets N-to-N with patterns like fanout, pub-sub, task distribution, and request-reply. It's fast enough to be the fabric for clustered products. Its asynchronous I/O model gives you scalable multicore applications, built as asynchronous message-processing tasks. It has a score of language APIs and runs on most operating systems. Homepage: http://www.zeromq.org/

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zlib

Description: 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. Homepage: http://www.zlib.net/

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