Installed modules on Fram

ABAQUS

Description: Finite Element Analysis software for modeling, visualization and best-in-class implicit and explicit dynamics FEA. Homepage: http://www.simulia.com/products/abaqus_fea.html

Installed versions:

• ABAQUS/2018-hotfix-1806

• ABAQUS/2018-hotfix-1904

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/

Installed versions:

• ADF/2019.103+StaticMKL

Advisor

Description: Vectorization Optimization and Thread Prototyping

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

Installed versions:

• Advisor/2017_update1

• Advisor/2018_update1

• Advisor/2018_update3

• Advisor/2019_update3

• Advisor/2019_update5

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

Installed versions:

• Allinea-MAP/7.0.6

Allinea-PerfReports

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

Installed versions:

• Allinea-PerfReports/7.0.6

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.anaconda.com/

Installed versions:

• Anaconda2/5.0.1

• Anaconda2/2018.12

• Anaconda2/2019.07

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/

Installed versions:

• Anaconda3/2019.07

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/

Installed versions:

• ANTLR/2.7.7-intel-2016a

• ANTLR/2.7.7-intel-2017a-Python-2.7.13

• ANTLR/2.7.7-intel-2018a

• ANTLR/2.7.7-intel-2018b

APR

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

Installed versions:

• APR/1.6.3-GCCcore-7.3.0

• APR/1.6.3-foss-2018a

• APR/1.7.0-GCCcore-8.2.0

• APR/1.7.0-GCCcore-9.3.0

APR-util

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

Installed versions:

• APR-util/1.6.1-GCCcore-7.3.0

• APR-util/1.6.1-GCCcore-8.2.0

• APR-util/1.6.1-GCCcore-9.3.0

• APR-util/1.6.1-foss-2018a

archspec

Description: A library for detecting, labeling, and reasoning about microarchitectures Homepage: https://github.com/archspec/archspec

Installed versions:

• archspec/0.1.0-GCCcore-8.3.0-Python-3.7.4

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

Installed versions:

• Arm-MAP/18.1.2

• Arm-MAP/20.0.3

Arm-PerfReports

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

Installed versions:

• Arm-PerfReports/18.1.2

• Arm-PerfReports/19.0.5

• Arm-PerfReports/20.0.3

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/

Installed versions:

• Armadillo/8.300.0-foss-2017a-Python-2.7.13

• Armadillo/8.300.0-intel-2017a-Python-2.7.13

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/

Installed versions:

• arpack-ng/3.5.0-foss-2017a

• arpack-ng/3.5.0-intel-2017a

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

Installed versions:

• ASE/3.17.0-intel-2018b-Python-3.6.6

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/

Installed versions:

• ATK/2.28.1-intel-2018a

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/

Installed versions:

• Autoconf/2.69

• Autoconf/2.69-GCCcore-4.9.3

• Autoconf/2.69-GCCcore-6.3.0

• Autoconf/2.69-GCCcore-6.4.0

• Autoconf/2.69-GCCcore-7.3.0

• Autoconf/2.69-GCCcore-8.2.0

• Autoconf/2.69-GCCcore-8.3.0

• Autoconf/2.69-GCCcore-9.3.0

• Autoconf/2.69-intel-2016a

• Autoconf/2.69-intel-2017a

Automake

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

Installed versions:

• Automake/1.15

• Automake/1.15-GCCcore-4.9.3

• Automake/1.15-GCCcore-6.3.0

• Automake/1.15-GCCcore-7.3.0

• Automake/1.15-intel-2016a

• Automake/1.15-intel-2017a

• Automake/1.15.1-GCCcore-6.3.0

• Automake/1.15.1-GCCcore-6.4.0

• Automake/1.15.1-GCCcore-7.3.0

• Automake/1.16.1-GCCcore-7.3.0

• Automake/1.16.1-GCCcore-8.2.0

• Automake/1.16.1-GCCcore-8.3.0

• Automake/1.16.1-GCCcore-9.3.0

Autotools

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

Homepage: https://autotools.io

Installed versions:

• Autotools/20150215

• Autotools/20150215-GCCcore-4.9.3

• Autotools/20150215-GCCcore-6.3.0

• Autotools/20150215-GCCcore-7.3.0

• Autotools/20150215-intel-2016a

• Autotools/20150215-intel-2017a

• Autotools/20170619-GCCcore-6.3.0

• Autotools/20170619-GCCcore-6.4.0

• Autotools/20170619-GCCcore-7.3.0

• Autotools/20180311-GCCcore-7.3.0

• Autotools/20180311-GCCcore-8.2.0

• Autotools/20180311-GCCcore-8.3.0

• Autotools/20180311-GCCcore-9.3.0

Avogadro

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

Installed versions:

• Avogadro/1.2.0-intel-2017a-Python-2.7.13

basemap

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

Installed versions:

• basemap/1.0.7-intel-2017a-Python-2.7.13

• basemap/1.2.0-intel-2019a-Python-3.7.2

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/

Installed versions:

• Bazel/0.11.0-GCCcore-6.4.0

• Bazel/0.11.1-GCCcore-6.4.0

• Bazel/0.12.0-GCCcore-6.4.0

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

Installed versions:

• BEEF/0.1.1-r16-intel-2017a

• BEEF/0.1.1-r16-intel-2018b

• BEEF/0.1.3-2822afe-intel-2018a

• BEEF/0.1.3-2822afe-intel-2018b

binutils

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

Installed versions:

• binutils/2.25

• binutils/2.25-GCC-4.9.3

• binutils/2.25-GCCcore-4.9.3

• binutils/2.27

• binutils/2.27-GCCcore-6.3.0

• binutils/2.28

• binutils/2.28-GCCcore-6.3.0

• binutils/2.28-GCCcore-6.4.0

• binutils/2.29

• binutils/2.29-GCCcore-7.2.0

• binutils/2.30

• binutils/2.30-GCCcore-7.3.0

• binutils/2.31.1

• binutils/2.31.1-GCCcore-8.2.0

• binutils/2.32

• binutils/2.32-GCCcore-8.3.0

• binutils/2.34

• binutils/2.34-GCCcore-9.3.0

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: https://www.gnu.org/software/bison

Installed versions:

• Bison/3.0.4

• Bison/3.0.4-GCC-4.9.3

• Bison/3.0.4-GCCcore-4.9.3

• Bison/3.0.4-GCCcore-6.3.0

• Bison/3.0.4-GCCcore-6.4.0

• Bison/3.0.4-GCCcore-7.2.0

• Bison/3.0.4-GCCcore-7.3.0

• Bison/3.0.4-gimkl-2.11.5

• Bison/3.0.4-intel-2016a

• Bison/3.0.4-intel-2017a

• Bison/3.0.5

• Bison/3.0.5-GCCcore-7.3.0

• Bison/3.0.5-GCCcore-8.2.0

• Bison/3.3.2

• Bison/3.3.2-GCCcore-8.3.0

• Bison/3.5.3

• Bison/3.5.3-GCCcore-9.3.0

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/

Installed versions:

• BLAST+/2.7.1-foss-2018a

Boost

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

Installed versions:

• Boost/1.63.0-foss-2017a-Python-2.7.13

• Boost/1.63.0-intel-2017a-Python-2.7.13

• Boost/1.65.1-intel-2018a-Python-2.7.14

• Boost/1.65.1-intel-2018a-Python-3.6.4

• Boost/1.66.0-foss-2018a

• Boost/1.66.0-foss-2018a-Python-2.7.14

• Boost/1.66.0-foss-2018a-Python-3.6.4

• Boost/1.66.0-intel-2018a-Python-2.7.14

• Boost/1.66.0-intel-2018a-Python-3.6.4

• Boost/1.67.0-foss-2018b

• Boost/1.68.0-foss-2018b-Python-2.7.15

• Boost/1.68.0-foss-2018b-Python-3.6.6

• Boost/1.68.0-intel-2018b-Python-2.7.15

• Boost/1.68.0-intel-2018b-Python-3.6.6

• Boost/1.70.0-gompi-2019a

• Boost/1.70.0-iimpi-2019a

• Boost/1.71.0-gompi-2019b

• Boost/1.71.0-iimpi-2019b

• Boost/1.72.0-gompi-2020a

• Boost/1.72.0-iimpi-2020a

Boost.Python

Description: Boost.Python is a C++ library which enables seamless interoperability between C++ and the Python programming language. Homepage: https://boostorg.github.io/python

Installed versions:

• Boost.Python/1.72.0-gompi-2020a

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

Installed versions:

• bzip2/1.0.6-GCCcore-6.3.0

• bzip2/1.0.6-GCCcore-6.4.0

• bzip2/1.0.6-GCCcore-7.3.0

• bzip2/1.0.6-GCCcore-8.2.0

• bzip2/1.0.6-gimkl-2.11.5

• bzip2/1.0.6-intel-2016a

• bzip2/1.0.6-intel-2018a

• bzip2/1.0.8-GCCcore-8.3.0

• bzip2/1.0.8-GCCcore-9.3.0

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: https://cairographics.org

Installed versions:

• cairo/1.14.8-intel-2017a

• cairo/1.14.10-GCCcore-6.4.0

• cairo/1.14.10-intel-2017b

• cairo/1.14.12-GCCcore-6.4.0

• cairo/1.14.12-GCCcore-7.3.0

• cairo/1.16.0-GCCcore-8.2.0

• cairo/1.16.0-GCCcore-9.3.0

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

Installed versions:

• CDO/1.7.2-intel-2016a

• CDO/1.8.2-intel-2017a

• CDO/1.9.3-intel-2018a

• CDO/1.9.5-intel-2018b

• CDO/1.9.8-intel-2019b

cdsapi

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

Installed versions:

• cdsapi/0.1.4-foss-2018b-Python-3.6.6

• cdsapi/0.1.4-foss-2019a

CESM

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

Installed versions:

• CESM/1.2.2.1-intel-2017a

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/

Installed versions:

• CFITSIO/3.42-GCCcore-6.4.0

cftime

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

Installed versions:

• cftime/1.0.0-intel-2018a-Python-2.7.14

• cftime/1.0.0-intel-2018a-Python-3.6.4

• cftime/1.0.1-intel-2018b-Python-2.7.15

• cftime/1.0.1-intel-2018b-Python-3.6.6

CFX

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

Installed versions:

• CFX/19.0

• CFX/19.2

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/

Installed versions:

• CGAL/4.9-intel-2017a-Python-2.7.13

• CGAL/4.11-intel-2018a-Python-2.7.14

• CGAL/4.11.1-foss-2018b-Python-2.7.15

• CGAL/4.14.1-foss-2019b-Python-3.7.4

• CGAL/4.14.3-gompi-2020a-Python-3.8.2

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

Installed versions:

• CMake/3.3.2-gimkl-2.11.5

• CMake/3.4.3-intel-2016a

• CMake/3.5.2-intel-2016a

• CMake/3.7.2-GCCcore-6.3.0

• CMake/3.8.0-GCCcore-6.3.0

• CMake/3.8.2-GCCcore-6.3.0

• CMake/3.9.1

• CMake/3.9.1-GCCcore-6.3.0

• CMake/3.9.1-GCCcore-6.4.0

• CMake/3.9.5-GCCcore-6.4.0

• CMake/3.9.6

• CMake/3.10.0-GCCcore-6.4.0

• CMake/3.10.1-GCCcore-6.4.0

• CMake/3.10.2-GCCcore-6.4.0

• CMake/3.11.4-GCCcore-7.3.0

• CMake/3.12.1

• CMake/3.12.1-GCCcore-7.3.0

• CMake/3.13.3-GCCcore-8.2.0

• CMake/3.15.3-GCCcore-8.3.0

• CMake/3.16.4-GCCcore-9.3.0

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/

Installed versions:

• CP2K/4.1-intel-2017a

• CP2K/5.1-intel-2018a

• CP2K/6.1-intel-2017b

• CP2K/6.1-intel-2017b-psmp

• CP2K/6.1-intel-2018a

• CP2K/6.1-intel-2018b

• CP2K/6.1-intel-2018b-psmp

• CP2K/6.1-manual-17b

• CP2K/6.1-manual-18a

CppUnit

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

Installed versions:

• CppUnit/1.14.0-intel-2017a

• CppUnit/1.14.0-intel-2018a

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

Installed versions:

• cURL/7.47.0-intel-2016a

• cURL/7.53.1-GCCcore-6.3.0

• cURL/7.54.0-GCCcore-6.3.0

• cURL/7.56.0-GCCcore-6.4.0

• cURL/7.56.0-foss-2017a

• cURL/7.56.0-intel-2017a

• cURL/7.56.1-GCCcore-6.4.0

• cURL/7.58.0-GCCcore-6.4.0

• cURL/7.60.0-GCCcore-7.3.0

• cURL/7.63.0-GCCcore-8.2.0

• cURL/7.66.0-GCCcore-8.3.0

• cURL/7.69.1-GCCcore-9.3.0

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/

Installed versions:

• DBus/1.13.8-GCCcore-8.2.0

• DBus/1.13.12-GCCcore-8.3.0

• DBus/1.13.12-GCCcore-9.3.0

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

Installed versions:

• DOLFIN/2017.1.0-intel-2018a-Python-2.7.14

double-conversion

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

Installed versions:

• double-conversion/3.1.4-GCCcore-8.3.0

• double-conversion/3.1.5-GCCcore-9.3.0

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

Installed versions:

• Doxygen/1.8.11-intel-2016a

• Doxygen/1.8.13-GCCcore-6.3.0

• Doxygen/1.8.13-GCCcore-6.4.0

• Doxygen/1.8.14-GCCcore-7.3.0

• Doxygen/1.8.15-GCCcore-8.2.0

• Doxygen/1.8.16-GCCcore-8.3.0

• Doxygen/1.8.17-GCCcore-9.3.0

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

Installed versions:

• EasyBuild/3.4.0

• EasyBuild/3.4.1

• EasyBuild/3.5.0

• EasyBuild/3.5.1

• EasyBuild/3.6.1

• EasyBuild/3.6.2

• EasyBuild/3.7.0

• EasyBuild/3.8.0

• EasyBuild/3.8.1

• EasyBuild/3.9.0

• EasyBuild/3.9.1

• EasyBuild/3.9.2

• EasyBuild/3.9.3

• EasyBuild/3.9.4

• EasyBuild/4.0.0

• EasyBuild/4.0.1

• EasyBuild/4.1.0

• EasyBuild/4.1.1

• EasyBuild/4.2.0

• EasyBuild/4.2.1

• EasyBuild/4.2.2

• EasyBuild/4.3.0

• EasyBuild/4.3.1

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

Installed versions:

• ecCodes/2.9.0-intel-2018b

• ecCodes/2.15.0-iimpi-2019b

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

Installed versions:

• Eigen/2.0.17-GCCcore-6.3.0

• Eigen/3.3.3-GCCcore-6.3.0

• Eigen/3.3.4

• Eigen/3.3.4-intel-2018a

• Eigen/3.3.7

• Eigen/3.3.7-GCCcore-9.3.0

ELPA

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

Installed versions:

• ELPA/2016.11.001.pre-intel-2018b

• ELPA/2017.05.002-intel-2017b

• ELPA/2017.05.003-intel-2018a

• ELPA/2017.11.001-intel-2017b

• ELPA/2017.11.001-intel-2018a

• ELPA/2017.11.001-intel-2018b

• ELPA/2018.11.001-intel-2019a

• ELPA/2019.11.001-intel-2019b

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/

Installed versions:

• Emacs/25.1-foss-2017a

• Emacs/25.3-GCCcore-6.4.0

• Emacs/25.3-GCCcore-7.3.0

ESMF

Description: The Earth System Modeling Framework (ESMF) is a suite of software tools for developing high-performance, multi-component Earth science modeling applications. Homepage: https://earthsystemmodeling.org/

Installed versions:

• ESMF/6.3.0rp1-intel-2017a-HDF5-1.8.18

• ESMF/7.0.2-intel-2017b

• ESMF/7.1.0r-intel-2018a

• ESMF/7.1.0r-intel-2018b

• ESMF/8.0.0-intel-2019b

• ESMF/8.0.1-intel-2020a

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

Installed versions:

• expat/2.1.1-intel-2016a

• expat/2.2.0-GCCcore-4.9.3

• expat/2.2.0-GCCcore-6.3.0

• expat/2.2.0-GCCcore-7.3.0

• expat/2.2.4-GCCcore-6.4.0

• expat/2.2.5-GCCcore-6.4.0

• expat/2.2.5-GCCcore-7.3.0

• expat/2.2.6-GCCcore-8.2.0

• expat/2.2.7-GCCcore-8.3.0

• expat/2.2.9-GCCcore-9.3.0

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/

Installed versions:

• Ferret/7.2-foss-2017a

• Ferret/7.5.0-foss-2019a

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

Installed versions:

• FFC/2016.1.0-intel-2017a-Python-2.7.13

• FFC/2017.1.0-intel-2017a-Python-2.7.13

• FFC/2017.1.0-intel-2018a-Python-2.7.14

• FFC/2017.1.0-intel-2018a-Python-3.6.4

FFmpeg

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

Installed versions:

• FFmpeg/4.1-foss-2018b

• FFmpeg/4.1.3-GCCcore-8.2.0

• FFmpeg/4.2.1-GCCcore-8.3.0

• FFmpeg/4.2.2-GCCcore-9.3.0

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

Installed versions:

• FFTW/3.3.4-intel-2016a

• FFTW/3.3.6-foss-2017a

• FFTW/3.3.6-gompi-2017a

• FFTW/3.3.6-gompi-2017b

• FFTW/3.3.6-intel-2017a

• FFTW/3.3.6-intel-2017b

• FFTW/3.3.7-gompi-2018a

• FFTW/3.3.7-intel-2017a

• FFTW/3.3.7-intel-2017b

• FFTW/3.3.7-intel-2018a

• FFTW/3.3.7-intel-2018b

• FFTW/3.3.8-gompi-2018b

• FFTW/3.3.8-gompi-2019a

• FFTW/3.3.8-gompi-2019b

• FFTW/3.3.8-gompi-2020a

• FFTW/3.3.8-intel-2018b

• FFTW/3.3.8-intel-2019a

• FFTW/3.3.8-intel-2019b

• FFTW/3.3.8-intel-2020a

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

Installed versions:

• FIAT/1.6.0-foss-2017a-Python-2.7.13

• FIAT/1.6.0-foss-2018a-Python-2.7.14

• FIAT/1.6.0-intel-2017a-Python-2.7.13

• FIAT/2016.1.0-intel-2017a-Python-2.7.13

• FIAT/2017.1.0-foss-2018a-Python-2.7.14

• FIAT/2017.1.0-intel-2017a-Python-2.7.13

• FIAT/2017.1.0-intel-2018a-Python-2.7.14

• FIAT/2017.1.0-intel-2018a-Python-3.6.4

fixesproto

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

Installed versions:

• fixesproto/5.0-intel-2018a

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/

Installed versions:

• flex/2.5.39

• flex/2.5.39-GCC-4.9.3

• flex/2.5.39-GCCcore-4.9.3

• flex/2.5.39-GCCcore-8.2.0

• flex/2.5.39-gimkl-2.11.5

• flex/2.6.0

• flex/2.6.0-intel-2016a

• flex/2.6.0-intel-2017a

• flex/2.6.3

• flex/2.6.3-GCCcore-6.3.0

• flex/2.6.4

• flex/2.6.4-GCCcore-6.3.0

• flex/2.6.4-GCCcore-6.4.0

• flex/2.6.4-GCCcore-7.2.0

• flex/2.6.4-GCCcore-7.3.0

• flex/2.6.4-GCCcore-8.2.0

• flex/2.6.4-GCCcore-8.3.0

• flex/2.6.4-GCCcore-9.3.0

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: https://www.ansys.com/products/fluids/ansys-fluent

Installed versions:

• Fluent/18.2

• Fluent/19.0

• FLUENT/19.0

• FLUENT/19.2

• FLUENT/20.1

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/

Installed versions:

• fontconfig/2.12.1-GCCcore-6.3.0-libpng-1.6.29

• fontconfig/2.12.1-GCCcore-7.3.0-libpng-1.6.29

• fontconfig/2.12.1-intel-2016a

• fontconfig/2.12.4-GCCcore-6.4.0

• fontconfig/2.12.6-GCCcore-6.4.0

• fontconfig/2.13.0-GCCcore-7.3.0

• fontconfig/2.13.1-GCCcore-8.2.0

• fontconfig/2.13.1-GCCcore-8.3.0

• fontconfig/2.13.92-GCCcore-9.3.0

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

Installed versions:

• foss/2017a

• foss/2017b

• foss/2018a

• foss/2018b

• foss/2019a

• foss/2019b

• foss/2020a

freeglut

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

Installed versions:

• freeglut/3.0.0-intel-2018a

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

Installed versions:

• freetype/2.6.1-intel-2018a

• freetype/2.6.3-intel-2016a

• freetype/2.7.1-GCCcore-6.3.0

• freetype/2.7.1-GCCcore-6.3.0-libpng-1.6.29

• freetype/2.7.1-GCCcore-7.3.0-libpng-1.6.29

• freetype/2.8-GCCcore-6.4.0

• freetype/2.9-GCCcore-6.4.0

• freetype/2.9.1-GCCcore-7.3.0

• freetype/2.9.1-GCCcore-8.2.0

• freetype/2.10.1-GCCcore-8.3.0

• freetype/2.10.1-GCCcore-9.3.0

FriBidi

Description: The Free Implementation of the Unicode Bidirectional Algorithm.

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

Installed versions:

• FriBidi/1.0.1-intel-2018a

• FriBidi/1.0.5-GCCcore-7.3.0

• FriBidi/1.0.5-GCCcore-8.2.0

• FriBidi/1.0.5-GCCcore-8.3.0

• FriBidi/1.0.9-GCCcore-9.3.0

g2clib

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

Installed versions:

• g2clib/1.6.0-intel-2017a

• g2clib/1.6.0-intel-2018a

• g2clib/1.6.0-intel-2018b

g2lib

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

Installed versions:

• g2lib/1.4.0-intel-2017a

• g2lib/1.4.0-intel-2018a

• g2lib/3.1.0-intel-2018b

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

Installed versions:

• Gaussian/g09_D.01

• Gaussian/g16_B.01

• Gaussian/g16_B.01-eth

• Gaussian/g16_C.01

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

Installed versions:

• GaussView/6.0.16

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/

Installed versions:

• gc/7.6.0-GCCcore-6.3.0

• gc/7.6.0-GCCcore-6.4.0

• gc/7.6.4-GCCcore-7.3.0

• gc/7.6.10-GCCcore-8.2.0

• gc/7.6.12-GCCcore-8.3.0

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: https://gcc.gnu.org/

Installed versions:

• GCC/4.9.3

• GCC/6.3.0-2.27

• GCC/6.4.0-2.28

• GCC/7.2.0-2.29

• GCC/7.3.0-2.30

• GCC/8.2.0-2.31.1

• GCC/8.3.0

• GCC/9.3.0

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: https://gcc.gnu.org/

Installed versions:

• GCCcore/4.9.3

• GCCcore/6.3.0

• GCCcore/6.4.0

• GCCcore/7.2.0

• GCCcore/7.3.0

• GCCcore/8.2.0

• GCCcore/8.3.0

• GCCcore/9.3.0

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

Installed versions:

• GDAL/2.1.3-intel-2017a-Python-2.7.13

• GDAL/2.2.0-foss-2017a-Python-2.7.13-HDF5-1.8.18

• GDAL/2.2.0-intel-2017a-Python-2.7.13-HDF5-1.8.18

• GDAL/2.2.2-intel-2017b-Python-2.7.14-HDF5-1.8.19

• GDAL/2.2.3-intel-2018a-Python-2.7.14-HDF5-1.8.19

• GDAL/2.3.1-intel-2018b-Python-3.6.6

• GDAL/3.0.0-foss-2019a-Python-3.7.2

• GDAL/3.0.0-intel-2019a-Python-3.7.2

• GDAL/3.0.1-intel-2019a-Python-3.7.2

• GDAL/3.0.2-foss-2019b-Python-3.7.4

• GDAL/3.0.2-intel-2019b-Python-3.7.4

• GDAL/3.0.4-foss-2020a-Python-3.8.2

• GDAL/3.0.4-intel-2020a-Python-3.8.2

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/

Installed versions:

• Gdk-Pixbuf/2.36.11-intel-2018a

GEOS

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

Installed versions:

• GEOS/3.6.1-foss-2017a-Python-2.7.13

• GEOS/3.6.1-intel-2017a-Python-2.7.13

• GEOS/3.6.2-intel-2017b-Python-2.7.14

• GEOS/3.6.2-intel-2018a-Python-2.7.14

• GEOS/3.6.2-intel-2018b-Python-2.7.15

• GEOS/3.6.2-intel-2018b-Python-3.6.6

• GEOS/3.6.3-intel-2018b-Python-3.6.6

• GEOS/3.7.2-foss-2019a-Python-3.7.2

• GEOS/3.7.2-intel-2019a-Python-3.7.2

• GEOS/3.8.0-GCC-8.3.0-Python-3.7.4

• GEOS/3.8.0-iccifort-2019.5.281-Python-3.7.4

• GEOS/3.8.1-GCC-9.3.0-Python-3.8.2

• GEOS/3.8.1-iccifort-2020.1.217-Python-3.8.2

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/

Installed versions:

• gettext/0.19.2-intel-2018a

• gettext/0.19.6

• gettext/0.19.8

• gettext/0.19.8-GCCcore-4.9.3

• gettext/0.19.8.1

• gettext/0.19.8.1-GCCcore-6.3.0

• gettext/0.19.8.1-GCCcore-6.4.0

• gettext/0.19.8.1-GCCcore-6.4.0-libxml2-2.9.7

• gettext/0.19.8.1-GCCcore-7.3.0

• gettext/0.19.8.1-GCCcore-8.2.0

• gettext/0.20.1

• gettext/0.20.1-GCCcore-8.3.0

• gettext/0.20.1-GCCcore-9.3.0

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

Installed versions:

• Ghostscript/9.22-GCCcore-6.4.0

• Ghostscript/9.22-GCCcore-6.4.0-cairo-1.14.12

• Ghostscript/9.23-GCCcore-6.4.0-cairo-1.14.12

• Ghostscript/9.27-GCCcore-8.2.0

gimkl

Description: GNU Compiler Collection (GCC) based compiler toolchain, next to Intel MPI and Intel MKL (BLAS, (Sca)LAPACK, FFTW). Homepage: (none)

Installed versions:

• gimkl/2.11.5

gimpi

Description: GNU Compiler Collection (GCC) based compiler toolchain, next to Intel MPI. Homepage: (none)

Installed versions:

• gimpi/2.11.5

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/

Installed versions:

• git/2.14.1-GCCcore-6.4.0

• git/2.14.2-foss-2017a

• git/2.14.2-intel-2017a

• git/2.18.0-GCCcore-7.3.0

• git/2.21.0-GCCcore-8.2.0

• git/2.23.0-GCCcore-8.3.0

GL2PS

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

Installed versions:

• GL2PS/1.4.0-intel-2018a

GLib

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

Installed versions:

• GLib/2.52.0-foss-2017a

• GLib/2.52.0-intel-2017a

• GLib/2.53.5-GCCcore-6.4.0

• GLib/2.54.2-GCCcore-6.4.0

• GLib/2.54.3-GCCcore-6.4.0

• GLib/2.54.3-GCCcore-7.3.0

• GLib/2.60.1-GCCcore-8.2.0

• GLib/2.62.0-GCCcore-8.3.0

• GLib/2.64.1-GCCcore-9.3.0

GlobalArrays

Description: Global Arrays (GA) is a Partitioned Global Address Space (PGAS) programming model Homepage: https://hpc.pnl.gov/globalarrays

Installed versions:

• GlobalArrays/5.7-intel-2018b

• GlobalArrays/5.7.2-intel-2019b-peigs

• GlobalArrays/5.7.2-intel-2020a

• GlobalArrays/5.8-intel-2020a

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/

Installed versions:

• GMP/6.1.0-intel-2016a

• GMP/6.1.1-GCCcore-6.3.0

• GMP/6.1.1-intel-2017a

• GMP/6.1.2-GCCcore-6.3.0

• GMP/6.1.2-GCCcore-6.4.0

• GMP/6.1.2-GCCcore-7.3.0

• GMP/6.1.2-GCCcore-8.2.0

• GMP/6.1.2-GCCcore-8.3.0

• GMP/6.2.0-GCCcore-9.3.0

gmsh

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

Installed versions:

• gmsh/3.0.5-foss-2017a

• gmsh/3.0.5-intel-2017a

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

Installed versions:

• Go/1.11.2

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/

Installed versions:

• GObject-Introspection/1.54.1-intel-2018a-Python-2.7.14

gompi

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

Installed versions:

• gompi/2017a

• gompi/2017b

• gompi/2018a

• gompi/2018b

• gompi/2019a

• gompi/2019b

• gompi/2020a

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/

Installed versions:

• GPAW/1.5.1-intel-2018b-Python-3.6.6

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/

Installed versions:

• GPAW-setups/0.9.9672

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/

Installed versions:

• gperf/3.1-GCCcore-6.4.0

• gperf/3.1-GCCcore-7.3.0

• gperf/3.1-GCCcore-8.2.0

• gperf/3.1-GCCcore-8.3.0

• gperf/3.1-GCCcore-9.3.0

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

Installed versions:

• grib_api/1.16.0-intel-2016a

• grib_api/1.24.0-foss-2017a

• grib_api/1.24.0-intel-2017a

• grib_api/1.25.0-intel-2018a

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 for both single and double precision. It also contains the gmxapi extension for the single precision MPI build.

Homepage: http://www.gromacs.org

Installed versions:

• GROMACS/2016.3-foss-2017a

• GROMACS/2016.3-intel-2017a

• GROMACS/2016.5-intel-2018a

• GROMACS/2018.3-foss-2018b

• GROMACS/2018.3-intel-2018b

• GROMACS/2019-foss-2018b

• GROMACS/2019.2-foss-2019a

• GROMACS/2019.4-foss-2019b

• GROMACS/2020-foss-2019b

• GROMACS/2020.1-foss-2020a-Python-3.8.2

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/

Installed versions:

• GSL/2.1-intel-2016a

• GSL/2.3-foss-2017a

• GSL/2.3-intel-2017a

• GSL/2.4-GCCcore-6.3.0

• GSL/2.4-GCCcore-6.4.0

• GSL/2.4-GCCcore-7.3.0

• GSL/2.5-GCC-7.3.0-2.30

• GSL/2.5-GCC-8.2.0-2.31.1

• GSL/2.5-GCCcore-7.3.0

• GSL/2.5-iccifort-2018.3.222-GCC-7.3.0-2.30

• GSL/2.5-iccifort-2019.1.144-GCC-8.2.0-2.31.1

• GSL/2.6-GCC-8.3.0

• GSL/2.6-GCC-9.3.0

• GSL/2.6-iccifort-2019.5.281

GTK+

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

Homepage: https://developer.gnome.org/gtk2/stable/

Installed versions:

• GTK+/2.24.32-intel-2018a

gtkglext

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

Installed versions:

• gtkglext/1.2.0-intel-2018a

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/

Installed versions:

• Guile/1.8.8-GCCcore-6.4.0

• Guile/1.8.8-GCCcore-7.3.0

• Guile/1.8.8-GCCcore-8.2.0

• Guile/1.8.8-GCCcore-8.3.0

• Guile/1.8.8-foss-2017a

• Guile/1.8.8-intel-2017a

• Guile/2.2.2-GCCcore-6.3.0

gzip

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

Installed versions:

• gzip/1.10-GCCcore-8.2.0

• gzip/1.10-GCCcore-8.3.0

• gzip/1.10-GCCcore-9.3.0

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/

Installed versions:

• h5py/2.7.1-foss-2018a-Python-3.6.4

• h5py/2.7.1-intel-2017a-Python-2.7.13

• h5py/2.7.1-intel-2017a-Python-3.6.1

• h5py/2.7.1-intel-2018a-Python-2.7.14

• h5py/2.7.1-intel-2018a-Python-3.6.4

• h5py/2.8.0-intel-2018b-Python-2.7.15

• h5py/2.8.0-intel-2018b-Python-3.6.6

• h5py/2.9.0-foss-2019a

• h5py/2.9.0-intel-2019a

• h5py/2.10.0-foss-2019b-Python-3.7.4

• h5py/2.10.0-foss-2020a-Python-3.8.2

• h5py/2.10.0-intel-2019b-Python-3.7.4

• h5py/2.10.0-intel-2020a-Python-3.8.2

HarfBuzz

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

Installed versions:

• HarfBuzz/1.7.5-intel-2018a

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/

Installed versions:

• HDF/4.2.12-intel-2017a

• HDF/4.2.14-GCCcore-6.4.0

• HDF/4.2.14-GCCcore-7.3.0

• HDF/4.2.14-GCCcore-8.2.0

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/

Installed versions:

• HDF5/1.8.16-intel-2016a

• HDF5/1.8.18-foss-2017a

• HDF5/1.8.18-intel-2017a

• HDF5/1.8.18-iomkl-2017a

• HDF5/1.8.19-foss-2017b

• HDF5/1.8.19-foss-2018a

• HDF5/1.8.19-intel-2017b

• HDF5/1.8.19-intel-2018a

• HDF5/1.8.19-iomkl-2018a

• HDF5/1.10.0-patch1-intel-2017a

• HDF5/1.10.1-foss-2017a

• HDF5/1.10.1-foss-2018a

• HDF5/1.10.1-intel-2016a

• HDF5/1.10.1-intel-2017a

• HDF5/1.10.1-intel-2017b

• HDF5/1.10.1-intel-2018a

• HDF5/1.10.1-iomkl-2018a

• HDF5/1.10.2-foss-2018b

• HDF5/1.10.2-intel-2018b

• HDF5/1.10.2-iomkl-2018b

• HDF5/1.10.5-gompi-2019a

• HDF5/1.10.5-gompi-2019b

• HDF5/1.10.5-iimpi-2019a

• HDF5/1.10.5-iimpi-2019b

• HDF5/1.10.5-iompi-2019a

• HDF5/1.10.6-gompi-2020a

• HDF5/1.10.6-iimpi-2020a

• HDF5/1.10.6-iompi-2020a

help2man

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

Installed versions:

• help2man/1.47.4

• help2man/1.47.4-GCCcore-6.3.0

• help2man/1.47.4-GCCcore-6.4.0

• help2man/1.47.4-GCCcore-7.2.0

• help2man/1.47.4-GCCcore-7.3.0

• help2man/1.47.7-GCCcore-8.2.0

• help2man/1.47.8-GCCcore-8.3.0

• help2man/1.47.12-GCCcore-9.3.0

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/

Installed versions:

• HPL/2.3-intel-2019a

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/

Installed versions:

• hwloc/1.11.5-GCC-6.3.0-2.27

• hwloc/1.11.5-iccifort-2017.1.132-GCC-6.3.0-2.27

• hwloc/1.11.7-GCCcore-6.4.0

• hwloc/1.11.8-GCCcore-6.4.0

• hwloc/1.11.8-intel-2017a

• hwloc/1.11.12-GCCcore-8.3.0

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

Installed versions:

• Hypre/2.11.2-foss-2017a

• Hypre/2.11.2-foss-2018a

• Hypre/2.11.2-intel-2017a

• Hypre/2.11.2-intel-2018a

• Hypre/2.15.0-foss-2018b

• Hypre/2.15.0-intel-2018b

• Hypre/2.15.1-foss-2019a

• Hypre/2.15.1-intel-2019a

• Hypre/2.18.2-foss-2019b

• Hypre/2.18.2-intel-2019b

icc

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

Installed versions:

• icc/2016.1.150-GCC-4.9.3-2.25

• icc/2017.1.132-GCC-6.3.0-2.27

• icc/2017.4.196-GCC-6.4.0-2.28

• icc/2018.1.163-GCC-6.4.0-2.28

• icc/2018.3.222-GCC-7.3.0-2.30

• icc/2019.1.144-GCC-8.2.0-2.31.1

iccifort

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

Installed versions:

• iccifort/2016.1.150-GCC-4.9.3-2.25

• iccifort/2017.1.132-GCC-6.3.0-2.27

• iccifort/2017.4.196-GCC-6.4.0-2.28

• iccifort/2018.1.163-GCC-6.4.0-2.28

• iccifort/2018.3.222-GCC-7.3.0-2.30

• iccifort/2019.1.144-GCC-8.2.0-2.31.1

• iccifort/2019.5.281

• iccifort/2020.1.217

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

Installed versions:

• ICU/61.1-GCCcore-6.4.0

• ICU/61.1-GCCcore-7.3.0

• ICU/64.2-GCCcore-8.2.0

ifort

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

Installed versions:

• ifort/2016.1.150-GCC-4.9.3-2.25

• ifort/2017.1.132-GCC-6.3.0-2.27

• ifort/2017.4.196-GCC-6.4.0-2.28

• ifort/2018.1.163-GCC-6.4.0-2.28

• ifort/2018.3.222-GCC-7.3.0-2.30

• ifort/2019.1.144-GCC-8.2.0-2.31.1

iimpi

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

Installed versions:

• iimpi/8.1.5-GCC-4.9.3-2.25

• iimpi/2017a

• iimpi/2017b

• iimpi/2018a

• iimpi/2018b

• iimpi/2019a

• iimpi/2019b

• iimpi/2020a

ImageMagick

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

Installed versions:

• ImageMagick/7.0.7-28-GCCcore-6.4.0

• ImageMagick/7.0.7-30-GCCcore-6.4.0-Ghostscript-9.22-cairo-1.14.12

• ImageMagick/7.0.7-39-GCCcore-6.4.0-Ghostscript-9.23-cairo-1.14.12

• ImageMagick/7.0.8-46-GCCcore-8.2.0

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: https://software.intel.com/mkl

Installed versions:

• imkl/11.2.3.187-gimpi-2.11.5

• imkl/11.3.1.150-iimpi-8.1.5-GCC-4.9.3-2.25

• imkl/2017.1.132-iimpi-2017a

• imkl/2017.1.132-iompi-2017a

• imkl/2017.3.196-iimpi-2017b

• imkl/2017.3.196-iompi-2017b

• imkl/2018.1.163-iimpi-2018a

• imkl/2018.1.163-iompi-2018a

• imkl/2018.3.222-iimpi-2018b

• imkl/2018.3.222-iompi-2018b

• imkl/2019.1.144-iimpi-2019a

• imkl/2019.1.144-iompi-2019a

• imkl/2019.5.281-iimpi-2019b

• imkl/2020.1.217-iimpi-2020a

• imkl/2020.1.217-iompi-2020a

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/

Installed versions:

• impi/5.0.3.048-GCC-4.9.3

• impi/5.1.2.150-iccifort-2016.1.150-GCC-4.9.3-2.25

• impi/2017.1.132-iccifort-2017.1.132-GCC-6.3.0-2.27

• impi/2017.3.196-iccifort-2017.4.196-GCC-6.4.0-2.28

• impi/2018.1.163-iccifort-2018.1.163-GCC-6.4.0-2.28

• impi/2018.3.222-iccifort-2018.3.222-GCC-7.3.0-2.30

• impi/2018.4.274-iccifort-2019.1.144-GCC-8.2.0-2.31.1

• impi/2018.5.288-iccifort-2019.5.281

• impi/2019.7.217-iccifort-2020.1.217

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

Installed versions:

• Inspector/2017_update1

• Inspector/2018_update1

• Inspector/2018_update3

• Inspector/2019_update3

• Inspector/2019_update5

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

Installed versions:

• Instant/2016.1.0-intel-2017a-Python-2.7.13

• Instant/2017.1.0-intel-2017a-Python-2.7.13

• Instant/2017.1.0-intel-2018a-Python-2.7.14

• Instant/2017.1.0-intel-2018a-Python-3.6.4

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

Installed versions:

• intel/2016a

• intel/2017a

• intel/2017b

• intel/2018a

• intel/2018b

• intel/2019a

• intel/2019b

• intel/2020a

intltool

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

Installed versions:

• intltool/0.51.0-GCCcore-4.9.3-Perl-5.24.0

• intltool/0.51.0-GCCcore-6.4.0-Perl-5.26.0

• intltool/0.51.0-GCCcore-6.4.0-Perl-5.26.1

• intltool/0.51.0-GCCcore-7.3.0-Perl-5.28.0

• intltool/0.51.0-GCCcore-8.2.0

• intltool/0.51.0-GCCcore-8.3.0

• intltool/0.51.0-GCCcore-9.3.0

iomkl

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

Installed versions:

• iomkl/2017a

• iomkl/2017b

• iomkl/2018a

• iomkl/2018b

• iomkl/2019a

• iomkl/2020a

iompi

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

Installed versions:

• iompi/2017a

• iompi/2017b

• iompi/2018a

• iompi/2018b

• iompi/2019a

• iompi/2020a

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/

Installed versions:

• ipp/2017.1.132

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/

Installed versions:

• itac/2019.4.036

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/

Installed versions:

• JAGS/4.3.0-foss-2017b

• JAGS/4.3.0-intel-2017b

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/

Installed versions:

• JasPer/1.900.1-GCCcore-6.4.0

• JasPer/1.900.1-foss-2017a

• JasPer/1.900.1-intel-2016a

• JasPer/1.900.1-intel-2017a

• JasPer/2.0.12-intel-2017a

• JasPer/2.0.14-GCCcore-6.4.0

• JasPer/2.0.14-GCCcore-7.3.0

• JasPer/2.0.14-GCCcore-8.2.0

• JasPer/2.0.14-GCCcore-8.3.0

• JasPer/2.0.14-GCCcore-9.3.0

Java

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

Installed versions:

• Java/1.8.0_121

• Java/1.8.0_131

• Java/1.8.0_162

• Java/1.8.0_192

• Java/11.0.2

• Java/.modulerc.bak_20190821105923_163504

Julia

Description: Julia is a high-level, high-performance dynamic programming language for numerical computing Homepage: https://julialang.org

Installed versions:

• Julia/1.1.0

• Julia/1.4.1-linux-x86_64

• Julia/1.5.1-linux-x86_64

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/

Installed versions:

• Keras/2.2.0-foss-2018a-Python-3.6.4

• Keras/2.2.0-intel-2018a-Python-3.6.4

kim-api

Description: Open Knowledgebase of Interatomic Models.

KIM is an API and OpenKIM is a collection of interatomic models (potentials) for atomistic simulations. This is a library that can be used by simulation programs to get access to the models in the OpenKIM database.

This EasyBuild only installs the API, the models can be installed with the package openkim-models, or the user can install them manually by running kim-api-collections-management install user MODELNAME or kim-api-collections-management install user OpenKIM to install them all.

Homepage: https://openkim.org/

Installed versions:

• kim-api/2.1.3-foss-2019b

• kim-api/2.1.3-intel-2019b

LAME

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

Installed versions:

• LAME/3.100-GCCcore-7.3.0

• LAME/3.100-GCCcore-8.2.0

• LAME/3.100-GCCcore-8.3.0

• LAME/3.100-GCCcore-9.3.0

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/

Installed versions:

• LAMMPS/3Mar2020-foss-2019b-Python-3.7.4-kokkos

• LAMMPS/3Mar2020-intel-2019b-Python-3.7.4-kokkos

• LAMMPS/7Aug19-foss-2018b-Python-2.7.15

• LAMMPS/7Aug19-foss-2019a-Python-2.7.15

• LAMMPS/11Aug17-foss-2017a

• LAMMPS/13Mar18-foss-2018a

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/

Installed versions:

• LAPACK/3.8.0-foss-2018b

lftp

Description: LFTP is a sophisticated ftp/http client, and a file transfer program supporting a number of network protocols. Like BASH, it has job control and uses the readline library for input. It has bookmarks, a built-in mirror command, and can transfer several files in parallel. It was designed with reliability in mind. Homepage: http://lftp.yar.ru

Installed versions:

• lftp/4.9.1-GCCcore-7.3.0

• lftp/4.9.1-GCCcore-8.3.0

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

Installed versions:

• libdap/3.18.1-intel-2016a

• libdap/3.18.1-intel-2017a

• libdap/3.19.1-intel-2018a

• libdap/3.20.1-intel-2018b

• libdap/3.20.3-GCCcore-7.3.0

libdrm

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

Installed versions:

• libdrm/2.4.76-GCCcore-6.3.0

• libdrm/2.4.76-intel-2017a

• libdrm/2.4.88-GCCcore-6.4.0

• libdrm/2.4.91-GCCcore-6.4.0

• libdrm/2.4.92-GCCcore-7.3.0

• libdrm/2.4.97-GCCcore-8.2.0

• libdrm/2.4.99-GCCcore-8.3.0

• libdrm/2.4.100-GCCcore-9.3.0

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/

Installed versions:

• libevent/2.1.11-GCCcore-8.3.0

• libevent/2.1.11-GCCcore-9.3.0

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: https://sourceware.org/libffi/

Installed versions:

• libffi/3.1-intel-2018a

• libffi/3.2.1-GCCcore-6.3.0

• libffi/3.2.1-GCCcore-6.4.0

• libffi/3.2.1-GCCcore-7.3.0

• libffi/3.2.1-GCCcore-8.2.0

• libffi/3.2.1-GCCcore-8.3.0

• libffi/3.2.1-intel-2017a

• libffi/3.2.1-intel-2018b

• libffi/3.3-GCCcore-9.3.0

libgeotiff

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

Installed versions:

• libgeotiff/1.4.2-intel-2018b

• libgeotiff/1.5.1-GCCcore-8.2.0

• libgeotiff/1.5.1-GCCcore-8.3.0

• libgeotiff/1.5.1-GCCcore-9.3.0

libGLU

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

Installed versions:

• libGLU/9.0.0-GCCcore-8.2.0

• libGLU/9.0.0-foss-2017a

• libGLU/9.0.0-foss-2018a

• libGLU/9.0.0-foss-2018b

• libGLU/9.0.0-intel-2017a

• libGLU/9.0.0-intel-2017b

• libGLU/9.0.0-intel-2018a

• libGLU/9.0.0-intel-2018b

• libGLU/9.0.1-GCCcore-8.3.0

• libGLU/9.0.1-GCCcore-9.3.0

libglvnd

Description: libglvnd is a vendor-neutral dispatch layer for arbitrating OpenGL API calls between multiple vendors. Homepage: https://github.com/NVIDIA/libglvnd

Installed versions:

• libglvnd/1.2.0-GCCcore-9.3.0

libibumad

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

Installed versions:

• libibumad/1.3.10.2-intel-2017a

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/

Installed versions:

• libibverbs/1.1.4-intel-2017a

libiconv

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

Installed versions:

• libiconv/1.15-GCCcore-6.3.0

• libiconv/1.15-GCCcore-6.4.0

• libiconv/1.15-GCCcore-7.3.0

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://github.com/evaleev/libint

Installed versions:

• Libint/1.1.6-intel-2017a

• Libint/1.1.6-intel-2017b

• Libint/1.1.6-intel-2018a

• Libint/1.1.6-intel-2018b

• Libint/2.5.0-gompi-2019a

• Libint/2.5.0-iimpi-2019a

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/

Installed versions:

• libjpeg-turbo/1.4.0-intel-2018a

• libjpeg-turbo/1.5.1-foss-2017a

• libjpeg-turbo/1.5.1-intel-2017a

• libjpeg-turbo/1.5.2-GCCcore-6.3.0

• libjpeg-turbo/1.5.2-GCCcore-6.4.0

• libjpeg-turbo/1.5.3-GCCcore-6.4.0

• libjpeg-turbo/2.0.0-GCCcore-7.3.0

• libjpeg-turbo/2.0.2-GCCcore-8.2.0

• libjpeg-turbo/2.0.3-GCCcore-8.3.0

• libjpeg-turbo/2.0.4-GCCcore-9.3.0

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/

Installed versions:

• libmatheval/1.1.11-GCCcore-6.4.0

• libmatheval/1.1.11-GCCcore-7.3.0

• libmatheval/1.1.11-GCCcore-8.2.0

• libmatheval/1.1.11-GCCcore-8.3.0

• libmatheval/1.1.11-foss-2017a

• libmatheval/1.1.11-intel-2017a

libpciaccess

Description: Generic PCI access library. Homepage: https://cgit.freedesktop.org/xorg/lib/libpciaccess/

Installed versions:

• libpciaccess/0.14-GCCcore-8.3.0

• libpciaccess/0.16-GCCcore-9.3.0

libpng

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

Installed versions:

• libpng/1.6.18-intel-2018a

• libpng/1.6.21-intel-2016a

• libpng/1.6.28-GCCcore-6.3.0

• libpng/1.6.29-GCCcore-6.3.0

• libpng/1.6.29-GCCcore-7.3.0

• libpng/1.6.32-GCCcore-6.4.0

• libpng/1.6.34-GCCcore-6.4.0

• libpng/1.6.34-GCCcore-7.3.0

• libpng/1.6.36-GCCcore-8.2.0

• libpng/1.6.37-GCCcore-8.3.0

• libpng/1.6.37-GCCcore-9.3.0

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/

Installed versions:

• libpthread-stubs/0.3-intel-2018a

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

Installed versions:

• libreadline/6.3-GCCcore-6.3.0

• libreadline/6.3-gimkl-2.11.5

• libreadline/6.3-intel-2016a

• libreadline/6.3-intel-2017a

• libreadline/6.3-intel-2018a

• libreadline/7.0-GCCcore-6.3.0

• libreadline/7.0-GCCcore-6.4.0

• libreadline/7.0-GCCcore-7.3.0

• libreadline/8.0-GCCcore-8.2.0

• libreadline/8.0-GCCcore-8.3.0

• libreadline/8.0-GCCcore-9.3.0

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

Installed versions:

• libsndfile/1.0.28-GCCcore-6.4.0

• libsndfile/1.0.28-GCCcore-7.3.0

• libsndfile/1.0.28-GCCcore-8.2.0

• libsndfile/1.0.28-intel-2017a

libsodium

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

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

Installed versions:

• libsodium/1.0.16-GCCcore-7.3.0

• libsodium/1.0.17-GCCcore-8.2.0

libspatialindex

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

Homepage: http://libspatialindex.github.io

Installed versions:

• libspatialindex/1.8.5-GCCcore-6.3.0

• libspatialindex/1.8.5-GCCcore-6.4.0

LibTIFF

Description: tiff: Library and tools for reading and writing TIFF data files Homepage: https://gitlab.com/libtiff/libtiff

Installed versions:

• LibTIFF/4.0.3-intel-2018a

• LibTIFF/4.0.7-foss-2017a

• LibTIFF/4.0.7-intel-2017a

• LibTIFF/4.0.8-intel-2017b

• LibTIFF/4.0.9-GCCcore-6.4.0

• LibTIFF/4.0.9-GCCcore-7.3.0

• LibTIFF/4.0.9-intel-2018b

• LibTIFF/4.0.10-GCCcore-8.2.0

• LibTIFF/4.0.10-GCCcore-8.3.0

• LibTIFF/4.1.0-GCCcore-9.3.0

libtirpc

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

Installed versions:

• libtirpc/1.1.4-GCCcore-7.3.0

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

Installed versions:

• libtool/2.4.6

• libtool/2.4.6-GCCcore-4.9.3

• libtool/2.4.6-GCCcore-6.3.0

• libtool/2.4.6-GCCcore-6.4.0

• libtool/2.4.6-GCCcore-7.3.0

• libtool/2.4.6-GCCcore-8.2.0

• libtool/2.4.6-GCCcore-8.3.0

• libtool/2.4.6-GCCcore-9.3.0

• libtool/2.4.6-intel-2016a

• libtool/2.4.6-intel-2017a

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/

Installed versions:

• libunistring/0.9.6-foss-2017a

• libunistring/0.9.6-intel-2017a

• libunistring/0.9.7-GCCcore-6.3.0

• libunistring/0.9.7-GCCcore-6.4.0

• libunistring/0.9.10-GCCcore-7.3.0

• libunistring/0.9.10-GCCcore-8.2.0

• libunistring/0.9.10-GCCcore-8.3.0

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/

Installed versions:

• libunwind/1.3.1-GCCcore-8.2.0

• libunwind/1.3.1-GCCcore-8.3.0

• libunwind/1.3.1-GCCcore-9.3.0

LibUUID

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

Installed versions:

• LibUUID/1.0.3-GCCcore-6.4.0

• LibUUID/1.0.3-GCCcore-7.3.0

• LibUUID/1.0.3-intel-2016a

• LibUUID/1.0.3-intel-2017a

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

Installed versions:

• libXau/1.0.8-intel-2018a

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: https://www.tddft.org/programs/libxc

Installed versions:

• libxc/2.2.3-intel-2017a

• libxc/3.0.1-intel-2018a

• libxc/3.0.1-intel-2018b

• libxc/4.0.3-intel-2017b

• libxc/4.2.3-intel-2017b

• libxc/4.2.3-intel-2018a

• libxc/4.2.3-intel-2018b

• libxc/4.3.4-iccifort-2019.1.144-GCC-8.2.0-2.31.1

• libxc/4.3.4-iccifort-2019.5.281

libXfixes

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

Installed versions:

• libXfixes/5.0.1-intel-2018a

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/

Installed versions:

• libxml2/2.9.2-intel-2018a

• libxml2/2.9.4-GCCcore-4.9.3

• libxml2/2.9.4-GCCcore-6.3.0

• libxml2/2.9.4-GCCcore-6.4.0

• libxml2/2.9.4-GCCcore-7.3.0

• libxml2/2.9.4-intel-2016a

• libxml2/2.9.4-intel-2017a-Python-2.7.13

• libxml2/2.9.7-GCCcore-6.4.0

• libxml2/2.9.7-intel-2018a-Python-2.7.14

• libxml2/2.9.8-GCCcore-7.3.0

• libxml2/2.9.8-GCCcore-8.2.0

• libxml2/2.9.8-foss-2018a-Python-2.7.14

• libxml2/2.9.9-GCCcore-8.3.0

• libxml2/2.9.10-GCCcore-9.3.0

libxslt

Description: Libxslt is the XSLT C library developed for the GNOME project (but usable outside of the Gnome platform). Homepage: http://xmlsoft.org/

Installed versions:

• libxslt/1.1.33-GCCcore-8.2.0

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

Installed versions:

• libxsmm/1.6.4-intel-2017a

• libxsmm/1.8.3-intel-2017b

• libxsmm/1.8.3-intel-2018a

• libxsmm/1.8.3-intel-2018b

• libxsmm/1.10-intel-2018b

libyaml

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

Installed versions:

• libyaml/0.1.7-GCCcore-6.4.0

• libyaml/0.2.2-GCCcore-8.2.0

• libyaml/0.2.2-GCCcore-9.3.0

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/

Installed versions:

• LittleCMS/2.8-GCCcore-6.4.0

• LittleCMS/2.9-GCCcore-6.4.0

• LittleCMS/2.9-GCCcore-8.2.0

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: https://llvm.org/

Installed versions:

• LLVM/4.0.0-foss-2017a

• LLVM/4.0.0-intel-2017a

• LLVM/5.0.0-intel-2017b

• LLVM/5.0.1-GCCcore-6.4.0

• LLVM/6.0.0-GCCcore-7.3.0

• LLVM/7.0.1-GCCcore-8.2.0

• LLVM/9.0.0-GCCcore-8.3.0

• LLVM/9.0.1-GCCcore-9.3.0

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

Installed versions:

• LMDB/0.9.21-GCCcore-6.4.0

lxml

Description: The lxml XML toolkit is a Pythonic binding for the C libraries libxml2 and libxslt. Homepage: http://lxml.de/

Installed versions:

• lxml/4.3.3-GCCcore-8.2.0

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/

Installed versions:

• lz4/1.8.2-GCCcore-7.3.0

• lz4/1.9.1-GCCcore-8.2.0

• lz4/1.9.2-GCCcore-9.3.0

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

Installed versions:

• M4/1.4.17

• M4/1.4.17-GCC-4.9.3

• M4/1.4.17-GCCcore-4.9.3

• M4/1.4.17-gimkl-2.11.5

• M4/1.4.17-intel-2016a

• M4/1.4.17-intel-2017a

• M4/1.4.18

• M4/1.4.18-GCCcore-6.3.0

• M4/1.4.18-GCCcore-6.4.0

• M4/1.4.18-GCCcore-7.2.0

• M4/1.4.18-GCCcore-7.3.0

• M4/1.4.18-GCCcore-8.2.0

• M4/1.4.18-GCCcore-8.3.0

• M4/1.4.18-GCCcore-9.3.0

makedepend

Description: The makedepend package contains a C-preprocessor like utility to determine build-time dependencies. Homepage: https://linux.die.net/man/1/makedepend

Installed versions:

• makedepend/1.0.5-GCCcore-6.3.0

• makedepend/1.0.5-GCCcore-6.4.0

• makedepend/1.0.6-GCCcore-7.3.0

• makedepend/1.0.6-GCCcore-8.2.0

• makedepend/1.0.6-GCCcore-8.3.0

• makedepend/1.0.6-GCCcore-9.3.0

Mako

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

Installed versions:

• Mako/1.0.6-foss-2017a-Python-2.7.13

• Mako/1.0.6-intel-2017a-Python-2.7.13

• Mako/1.0.7-foss-2018a-Python-2.7.14

• Mako/1.0.7-foss-2018b-Python-2.7.15

• Mako/1.0.7-intel-2017b-Python-2.7.14

• Mako/1.0.7-intel-2018a-Python-2.7.14

• Mako/1.0.7-intel-2018b-Python-2.7.15

• Mako/1.0.8-GCCcore-8.2.0

• Mako/1.1.0-GCCcore-8.3.0

• Mako/1.1.2-GCCcore-9.3.0

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: https://www.mathworks.com/products/matlab.html

Installed versions:

• MATLAB/2017a

• MATLAB/2018a

• MATLAB/2018b

• MATLAB/2019a

• MATLAB/2020a

• MATLAB/2020b

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

Installed versions:

• matplotlib/2.0.2-foss-2017a-Python-2.7.13

• matplotlib/2.0.2-intel-2017a-Python-2.7.13

• matplotlib/2.0.2-intel-2017a-Python-2.7.13-libpng-1.6.29

• matplotlib/2.1.2-foss-2018a-Python-3.6.4

• matplotlib/2.1.2-intel-2018a-Python-2.7.14

• matplotlib/2.1.2-intel-2018a-Python-3.6.4

• matplotlib/2.2.3-intel-2018b-Python-2.7.15

• matplotlib/3.0.0-foss-2018b-Python-3.6.6

• matplotlib/3.0.0-intel-2018b-Python-3.6.6

• matplotlib/3.0.3-foss-2019a-Python-3.7.2

• matplotlib/3.0.3-intel-2019a-Python-3.7.2

• matplotlib/3.1.1-foss-2019b-Python-3.7.4

• matplotlib/3.1.1-intel-2019b-Python-3.7.4

• matplotlib/3.2.1-foss-2020a-Python-3.8.2

• matplotlib/3.2.1-intel-2020a-Python-3.8.2

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/

Installed versions:

• Mercurial/4.3.3-intel-2017a-Python-2.7.13

Mesa

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

Installed versions:

• Mesa/17.0.2-foss-2017a

• Mesa/17.0.2-intel-2017a

• Mesa/17.2.4-intel-2017b

• Mesa/17.2.5-foss-2018a

• Mesa/17.2.5-intel-2018a

• Mesa/17.3.6-intel-2018a

• Mesa/18.1.1-foss-2018b

• Mesa/18.1.1-intel-2018b

• Mesa/19.0.1-GCCcore-8.2.0

• Mesa/19.1.7-GCCcore-8.3.0

• Mesa/20.0.2-GCCcore-9.3.0

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

Installed versions:

• Meson/0.50.0-GCCcore-8.2.0-Python-3.7.2

• Meson/0.51.2-GCCcore-8.3.0-Python-3.7.4

• Meson/0.53.2-GCCcore-9.3.0-Python-3.8.2

Mesquite

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

Installed versions:

• Mesquite/2.3.0-GCCcore-8.3.0

• Mesquite/2.3.0-gimkl-2.11.5

• Mesquite/2.3.0-intel-2017a

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

Installed versions:

• METIS/5.0.2-gimkl-2.11.5

• METIS/5.1.0-GCCcore-8.2.0

• METIS/5.1.0-GCCcore-8.3.0

• METIS/5.1.0-GCCcore-9.3.0

• METIS/5.1.0-foss-2017a

• METIS/5.1.0-foss-2018a

• METIS/5.1.0-foss-2018b

• METIS/5.1.0-intel-2017a

• METIS/5.1.0-intel-2018a

• METIS/5.1.0-intel-2018b

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: https://www3.cmbi.umcn.nl/molden/

Installed versions:

• Molden/5.2-foss-2018a

• Molden/5.2-intel-2018a

• Molden/5.7-intel-2017a

• Molden/6.1-GCCcore-8.2.0

molmod

Description: MolMod is a Python library with many compoments that are useful to write molecular modeling programs. Homepage: https://molmod.github.io/molmod/

Installed versions:

• molmod/1.4.5-foss-2019b-Python-3.7.4

• molmod/1.4.5-intel-2019b-Python-3.7.4

MPFR

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

Homepage: https://www.mpfr.org

Installed versions:

• MPFR/3.1.5-intel-2017a

• MPFR/3.1.6-GCCcore-6.4.0

• MPFR/4.0.1-GCCcore-7.3.0

• MPFR/4.0.2-GCCcore-8.3.0

• MPFR/4.0.2-GCCcore-9.3.0

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/

Installed versions:

• mpmath/0.19-foss-2017a-Python-2.7.13

• mpmath/0.19-foss-2018a-Python-2.7.14

• mpmath/0.19-intel-2017a-Python-2.7.13

• mpmath/1.0.0-foss-2018a-Python-2.7.14

• mpmath/1.0.0-intel-2018a-Python-2.7.14

• mpmath/1.0.0-intel-2018a-Python-3.6.4

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

Installed versions:

• MTL4/4.0.9555

MUMPS

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

Installed versions:

• MUMPS/5.1.2-foss-2018a

• MUMPS/5.1.2-foss-2018b

• MUMPS/5.1.2-intel-2018a

• MUMPS/5.1.2-intel-2018b

• MUMPS/5.2.1-foss-2019a-metis

• MUMPS/5.2.1-foss-2019b-metis

• MUMPS/5.2.1-foss-2020a-metis

• MUMPS/5.2.1-intel-2019a-metis

• MUMPS/5.2.1-intel-2019b-metis

• MUMPS/5.2.1-intel-2020a-metis

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/

Installed versions:

• NAMD/2.12-foss-2017a-mpi

• NAMD/2.12-intel-2017a-mpi

• NAMD/2.12-intel-2018a-mpi

• NAMD/2.13-foss-2018b-mpi

• NAMD/2.13-intel-2018a-mpi

• NAMD/2.14-foss-2019b-mpi

• NAMD/2017-11-06-foss-2017a-mpi

• NAMD/2017-11-06-intel-2017a-mpi

• NAMD/2018-02-15-intel-2018a-mpi

NASM

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

Installed versions:

• NASM/2.11.06-intel-2018a

• NASM/2.12.02-foss-2017a

• NASM/2.12.02-intel-2017a

• NASM/2.13.01-GCCcore-6.3.0

• NASM/2.13.01-GCCcore-6.4.0

• NASM/2.13.03-GCCcore-6.4.0

• NASM/2.13.03-GCCcore-7.3.0

• NASM/2.14.02-GCCcore-8.2.0

• NASM/2.14.02-GCCcore-8.3.0

• NASM/2.14.02-GCCcore-9.3.0

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

Installed versions:

• NBO7/28-Mar-2019-intel-2018b

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

Installed versions:

• ncdu/1.14-GCCcore-7.3.0

NCL

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

Installed versions:

• NCL/6.4.0-intel-2017a

• NCL/6.5.0-intel-2018a

• NCL/6.6.2-intel-2018b

NCO

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

Installed versions:

• NCO/4.6.0-intel-2016a

• NCO/4.6.6-intel-2017a

• NCO/4.7.2-intel-2018a

• NCO/4.7.7-intel-2018b

• NCO/4.7.9-intel-2018b

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: https://www.gnu.org/software/ncurses/

Installed versions:

• ncurses/5.9-gimkl-2.11.5

• ncurses/5.9-intel-2018a

• ncurses/6.0

• ncurses/6.0-GCCcore-4.9.3

• ncurses/6.0-GCCcore-6.3.0

• ncurses/6.0-GCCcore-6.4.0

• ncurses/6.0-intel-2016a

• ncurses/6.0-intel-2017a

• ncurses/6.0-intel-2018b

• ncurses/6.1

• ncurses/6.1-GCCcore-7.3.0

• ncurses/6.1-GCCcore-8.2.0

• ncurses/6.1-GCCcore-8.3.0

• ncurses/6.2-GCCcore-9.3.0

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

Installed versions:

• ncview/2.1.7-intel-2016a

• ncview/2.1.7-intel-2017a

• ncview/2.1.7-intel-2018a

• ncview/2.1.7-intel-2018b

• ncview/2.1.7-intel-2019a

• ncview/2.1.7-intel-2019b

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/

Installed versions:

• netCDF/4.4.0-intel-2016a

• netCDF/4.4.1.1-foss-2017a-HDF5-1.8.18

• netCDF/4.4.1.1-foss-2018a-HDF5-1.8.19

• netCDF/4.4.1.1-intel-2017a

• netCDF/4.4.1.1-intel-2017a-HDF5-1.8.18

• netCDF/4.4.1.1-intel-2017a-HDF5-1.10.1

• netCDF/4.4.1.1-intel-2017b-HDF5-1.8.19

• netCDF/4.4.1.1-intel-2018a-HDF5-1.8.19

• netCDF/4.4.1.1-iomkl-2017a-HDF5-1.8.18

• netCDF/4.4.1.1-iomkl-2018a-HDF5-1.8.19

• netCDF/4.6.1-foss-2018b

• netCDF/4.6.1-intel-2018b

• netCDF/4.6.1-iomkl-2018b

• netCDF/4.6.2-gompi-2019a

• netCDF/4.6.2-iimpi-2019a

• netCDF/4.6.2-iompi-2019a

• netCDF/4.7.1-gompi-2019b

• netCDF/4.7.1-iimpi-2019b

• netCDF/4.7.4-gompi-2020a

• netCDF/4.7.4-iimpi-2020a

• netCDF/4.7.4-iompi-2020a

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

Installed versions:

• netCDF-C++4/4.3.0-foss-2017a-HDF5-1.8.18

• netCDF-C++4/4.3.0-foss-2018a-HDF5-1.8.19

• netCDF-C++4/4.3.0-foss-2018b

• netCDF-C++4/4.3.0-intel-2017a

• netCDF-C++4/4.3.0-intel-2017a-HDF5-1.8.18

• netCDF-C++4/4.3.0-intel-2017b-HDF5-1.8.19

• netCDF-C++4/4.3.0-intel-2018a-HDF5-1.8.19

• netCDF-C++4/4.3.0-intel-2018b

• netCDF-C++4/4.3.0-iomkl-2017a-HDF5-1.8.18

• netCDF-C++4/4.3.0-iomkl-2018a-HDF5-1.8.19

• netCDF-C++4/4.3.0-iomkl-2018b

• netCDF-C++4/4.3.1-iimpi-2019b

• netCDF-C++4/4.3.1-iimpi-2020a

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

Installed versions:

• netCDF-Fortran/4.4.3-intel-2016a

• netCDF-Fortran/4.4.4-foss-2017a-HDF5-1.8.18

• netCDF-Fortran/4.4.4-foss-2018a-HDF5-1.8.19

• netCDF-Fortran/4.4.4-foss-2018b

• netCDF-Fortran/4.4.4-intel-2017a

• netCDF-Fortran/4.4.4-intel-2017a-HDF5-1.8.18

• netCDF-Fortran/4.4.4-intel-2017b-HDF5-1.8.19

• netCDF-Fortran/4.4.4-intel-2018a-HDF5-1.8.19

• netCDF-Fortran/4.4.4-intel-2018b

• netCDF-Fortran/4.4.4-iomkl-2017a-HDF5-1.8.18

• netCDF-Fortran/4.4.4-iomkl-2018a-HDF5-1.8.19

• netCDF-Fortran/4.4.4-iomkl-2018b

• netCDF-Fortran/4.4.5-gompi-2019a

• netCDF-Fortran/4.4.5-iimpi-2019a

• netCDF-Fortran/4.4.5-iompi-2019a

• netCDF-Fortran/4.5.2-gompi-2019b

• netCDF-Fortran/4.5.2-gompi-2020a

• netCDF-Fortran/4.5.2-iimpi-2019b

• netCDF-Fortran/4.5.2-iimpi-2020a

• netCDF-Fortran/4.5.2-iompi-2020a

netcdf4-python

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

Installed versions:

• netcdf4-python/1.2.9-intel-2017a-Python-2.7.13

• netcdf4-python/1.3.1-intel-2018a-Python-2.7.14

• netcdf4-python/1.4.0-intel-2018a-Python-2.7.14

• netcdf4-python/1.4.0-intel-2018a-Python-3.6.4

• netcdf4-python/1.4.1-intel-2018b-Python-2.7.15

• netcdf4-python/1.4.1-intel-2018b-Python-3.6.6

• netcdf4-python/1.5.2-intel-2019a-Python-3.7.2

• netcdf4-python/1.5.3-foss-2019b-Python-3.7.4

• netcdf4-python/1.5.3-intel-2019b-Python-3.7.4

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/

Installed versions:

• nettle/3.3-GCCcore-6.3.0

• nettle/3.3-GCCcore-6.4.0

• nettle/3.3-intel-2017a

• nettle/3.4-foss-2018b

• nettle/3.4-intel-2018a

• nettle/3.4-intel-2018b

• nettle/3.4.1-GCCcore-8.2.0

• nettle/3.5.1-GCCcore-8.3.0

networkx

Description: NetworkX is a Python package for the creation, manipulation, and study of the structure, dynamics, and functions of complex networks. Homepage: https://pypi.python.org/pypi/networkx

Installed versions:

• networkx/2.4-foss-2020a-Python-3.8.2

NEURON

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

Installed versions:

• NEURON/7.7.2-intel-2019a-Python-3.7.2

Ninja

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

Installed versions:

• Ninja/1.9.0-GCCcore-8.2.0

• Ninja/1.9.0-GCCcore-8.3.0

• Ninja/1.10.0-GCCcore-9.3.0

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

Installed versions:

• NLopt/2.4.2-GCCcore-7.3.0

• NLopt/2.4.2-intel-2017a

• NLopt/2.4.2-intel-2017b

• NLopt/2.4.2-intel-2018a

• NLopt/2.6.1-GCCcore-8.2.0

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

Installed versions:

• NSPR/4.21-GCCcore-8.2.0

• NSPR/4.21-GCCcore-8.3.0

• NSPR/4.25-GCCcore-9.3.0

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

Installed versions:

• NSS/3.42.1-GCCcore-8.2.0

• NSS/3.45-GCCcore-8.3.0

• NSS/3.51-GCCcore-9.3.0

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: https://github.com/numactl/numactl

Installed versions:

• numactl/2.0.11-GCC-6.3.0-2.27

• numactl/2.0.11-GCCcore-6.3.0

• numactl/2.0.11-GCCcore-6.4.0

• numactl/2.0.11-GCCcore-7.3.0

• numactl/2.0.12-GCCcore-8.3.0

• numactl/2.0.13-GCCcore-9.3.0

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

Installed versions:

• NWChem/6.6.revision27746-intel-2017a-2015-10-20-patches-20170814-Python-2.7.13

• NWChem/6.6.revision27746-intel-2018a-2015-10-20-patches-20170814-Python-2.7.14

• NWChem/6.8.1.revision133-intel-2018b-2018-06-14-Python-2.7.15

• NWChem/6.8.revision-v47-intel-2018a-2017-12-14-Python-2.7.14

• NWChem/7.0.0-intel-2019b-Python-3.7.4

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

Installed versions:

• OpenBabel/2.4.1-intel-2017a-Python-2.7.13

OpenBLAS

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

Installed versions:

• OpenBLAS/0.2.19-GCC-6.3.0-2.27-LAPACK-3.7.0

• OpenBLAS/0.2.20-GCC-6.4.0-2.28

• OpenBLAS/0.3.1-GCC-7.3.0-2.30

• OpenBLAS/0.3.5-GCC-8.2.0-2.31.1

• OpenBLAS/0.3.7-GCC-8.3.0

• OpenBLAS/0.3.9-GCC-9.3.0

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: https://www.openfoam.com/

Installed versions:

• OpenFOAM/2.4.0-intel-2019a

• OpenFOAM/4.1-intel-2017a

• OpenFOAM/5.0-intel-2017a

• OpenFOAM/6-foss-2018b

• OpenFOAM/1712-foss-2018a

• OpenFOAM/v1806-foss-2018b

• OpenFOAM/v1812-foss-2018b

• OpenFOAM/v1906-foss-2019b

• OpenFOAM/v1912-foss-2019b

• OpenFOAM/v2006-foss-2020a

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/

Installed versions:

• OpenFOAM-Extend/3.1-gimkl-2.11.5

• OpenFOAM-Extend/4.0-intel-2017a

• OpenFOAM-Extend/4.1-20191120-intel-2019b-Python-2.7.16

OpenMolcas

Description: OpenMolcas is a quantum chemistry software package Homepage: https://gitlab.com/Molcas/OpenMolcas

Installed versions:

• OpenMolcas/18.09-intel-2018b-Python-3.6.6

• OpenMolcas/20.10-intel-2020a-Python-3.8.2

OpenMPI

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

Installed versions:

• OpenMPI/2.0.2-GCC-6.3.0-2.27

• OpenMPI/2.0.2-PGI-17.9-GCC-6.3.0-2.27

• OpenMPI/2.0.2-iccifort-2017.1.132-GCC-6.3.0-2.27

• OpenMPI/2.1.1-GCC-6.4.0-2.28

• OpenMPI/2.1.1-iccifort-2017.4.196-GCC-6.4.0-2.28

• OpenMPI/2.1.2-GCC-6.4.0-2.28

• OpenMPI/2.1.2-iccifort-2018.1.163-GCC-6.4.0-2.28

• OpenMPI/3.1.1-GCC-7.3.0-2.30

• OpenMPI/3.1.1-PGI-18.7-GCC-7.3.0-2.30

• OpenMPI/3.1.1-iccifort-2018.3.222-GCC-7.3.0-2.30

• OpenMPI/3.1.3-GCC-8.2.0-2.31.1

• OpenMPI/3.1.3-iccifort-2019.1.144-GCC-8.2.0-2.31.1

• OpenMPI/3.1.4-GCC-8.3.0

• OpenMPI/4.0.3-GCC-9.3.0

• OpenMPI/4.0.3-PGI-20.4-GCC-9.3.0

• OpenMPI/4.0.3-iccifort-2020.1.217

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/

Installed versions:

• OpenPGM/5.2.122-GCCcore-7.3.0

• OpenPGM/5.2.122-GCCcore-8.2.0

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/

Installed versions:

• OpenSSL/1.1.0f-foss-2017a

• OpenSSL/1.1.0f-intel-2017a

• OpenSSL/1.1.0h-GCCcore-7.3.0

• OpenSSL/1.1.1d-GCCcore-8.3.0

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/

Installed versions:

• p7zip/16.02-intel-2018a

Pandoc

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

Installed versions:

• Pandoc/2.5

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/

Installed versions:

• Pango/1.41.1-intel-2018a

pangox-compat

Description: PangoX compatibility library Homepage: https://gitlab.gnome.org/Archive/pangox-compat

Installed versions:

• pangox-compat/0.0.2-intel-2018a-Pango-1.41.1

ParaView

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

Installed versions:

• ParaView/5.2.0-intel-2017a-mpi

• ParaView/5.4.1-foss-2018a-mpi

• ParaView/5.4.1-foss-2018b-mpi

• ParaView/5.5.2-foss-2018b-Python-2.7.15-mpi

• ParaView/5.5.2-foss-2018b-mpi

• ParaView/5.5.2-foss-2019b-Python-2.7.16-mpi

• ParaView/5.6.2-foss-2019b-Python-3.7.4-mpi

• ParaView/5.8.0-foss-2020a-Python-3.8.2-mpi

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

Installed versions:

• ParMETIS/4.0.3-foss-2017a

• ParMETIS/4.0.3-foss-2018a

• ParMETIS/4.0.3-foss-2018b

• ParMETIS/4.0.3-gimkl-2.11.5

• ParMETIS/4.0.3-gompi-2019a

• ParMETIS/4.0.3-gompi-2019b

• ParMETIS/4.0.3-gompi-2020a

• ParMETIS/4.0.3-iimpi-2019a

• ParMETIS/4.0.3-iimpi-2019b

• ParMETIS/4.0.3-iimpi-2020a

• ParMETIS/4.0.3-intel-2017a

• ParMETIS/4.0.3-intel-2017b

• ParMETIS/4.0.3-intel-2018a

• ParMETIS/4.0.3-intel-2018b

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

Installed versions:

• ParMGridGen/1.0-gimkl-2.11.5

• ParMGridGen/1.0-iimpi-2019b

• ParMGridGen/1.0-intel-2017a

patchelf

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

Installed versions:

• patchelf/0.9-GCCcore-6.3.0

• patchelf/0.9-GCCcore-6.4.0

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/

Installed versions:

• PCRE/8.40-GCCcore-6.3.0

• PCRE/8.40-intel-2017a

• PCRE/8.40-intel-2018b

• PCRE/8.41-GCCcore-6.4.0

• PCRE/8.41-GCCcore-7.3.0

• PCRE/8.43-GCCcore-8.2.0

• PCRE/8.43-GCCcore-8.3.0

• PCRE/8.44-GCCcore-9.3.0

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/

Installed versions:

• PCRE2/10.33-GCCcore-8.3.0

• PCRE2/10.34-GCCcore-9.3.0

Perl

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

Installed versions:

• Perl/5.24.0-GCCcore-4.9.3

• Perl/5.24.1-foss-2017a

• Perl/5.24.1-intel-2017a

• Perl/5.26.0-GCCcore-6.4.0

• Perl/5.26.1-GCCcore-6.4.0

• Perl/5.28.0-GCCcore-7.3.0

• Perl/5.28.1-GCCcore-8.2.0

• Perl/5.30.0-GCCcore-8.3.0

• Perl/5.30.2-GCCcore-9.3.0

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

Installed versions:

• PETSc/3.8.0-foss-2017a-Python-2.7.13

• PETSc/3.8.0-intel-2017a-Python-2.7.13

• PETSc/3.8.3-foss-2018a-Python-2.7.14

• PETSc/3.8.3-foss-2018a-Python-2.7.14-bare

• PETSc/3.8.3-intel-2018a-Python-2.7.14

• PETSc/3.10.1-foss-2018b

• PETSc/3.10.1-intel-2018b

• PETSc/3.11.1-foss-2019a

• PETSc/3.11.1-intel-2019a

• PETSc/3.12.4-foss-2019b

• PETSc/3.12.4-intel-2019b

petsc4py

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

Installed versions:

• petsc4py/3.8.0-intel-2017a-Python-2.7.13

• petsc4py/3.8.0-intel-2018a-Python-2.7.14

PGI

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

Installed versions:

• PGI/17.9-GCC-6.3.0-2.27

• PGI/18.7-GCC-7.3.0-2.30

• PGI/19.9-GCC-8.3.0

• PGI/20.4-GCC-9.3.0

phonopy

Description: Phonopy is an open source package of phonon calculations based on the supercell approach. Homepage: https://atztogo.github.io/phonopy/

Installed versions:

• phonopy/2.7.1-intel-2020a-Python-3.8.2

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/

Installed versions:

• pigz/2.4-GCCcore-8.2.0

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. Original website down: http://www.pythonware.com/products/pil. Currently no replacement exists. Homepage:

Installed versions:

• PIL/1.1.7-intel-2017a-Python-2.7.13

Pillow

Description: Pillow is the ‘friendly PIL fork’ by Alex Clark and Contributors. PIL is the Python Imaging Library by Fredrik Lundh and Contributors. Homepage: https://pillow.readthedocs.org/

Installed versions:

• Pillow/6.0.0-GCCcore-8.2.0

• Pillow/7.0.0-GCCcore-9.3.0-Python-3.8.2

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/

Installed versions:

• pixman/0.34.0-GCCcore-6.3.0

• pixman/0.34.0-GCCcore-6.4.0

• pixman/0.34.0-GCCcore-7.3.0

• pixman/0.38.0-GCCcore-8.2.0

• pixman/0.38.4-GCCcore-9.3.0

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/

Installed versions:

• pkg-config/0.29.1-GCCcore-6.3.0

• pkg-config/0.29.1-GCCcore-7.3.0

• pkg-config/0.29.1-foss-2017a

• pkg-config/0.29.1-intel-2016a

• pkg-config/0.29.1-intel-2017a

• pkg-config/0.29.2-GCCcore-6.3.0

• pkg-config/0.29.2-GCCcore-6.4.0

• pkg-config/0.29.2-GCCcore-7.3.0

• pkg-config/0.29.2-GCCcore-8.2.0

• pkg-config/0.29.2-GCCcore-8.3.0

• pkg-config/0.29.2-GCCcore-9.3.0

• pkg-config/0.29.2-intel-2017a

• pkg-config/0.29.2-intel-2018b

pkgconfig

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

Installed versions:

• pkgconfig/1.2.2-intel-2017a-Python-2.7.13

• pkgconfig/1.2.2-intel-2017a-Python-3.6.1

• pkgconfig/1.2.2-intel-2018a-Python-2.7.14

• pkgconfig/1.2.2-intel-2018a-Python-3.6.4

• pkgconfig/1.3.1-foss-2018a-Python-3.6.4

• pkgconfig/1.3.1-intel-2018b-Python-2.7.15

• pkgconfig/1.3.1-intel-2018b-Python-3.6.6

• pkgconfig/1.5.1-GCCcore-8.2.0-python

• pkgconfig/1.5.1-GCCcore-8.3.0-Python-3.7.4

• pkgconfig/1.5.1-GCCcore-9.3.0-Python-3.8.2

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: https://github.com/plumed/plumed2

Installed versions:

• PLUMED/2.3.0-foss-2017a

• PLUMED/2.3.0-intel-2017a

• PLUMED/2.4.0-intel-2017b

• PLUMED/2.4.0-intel-2018a

• PLUMED/2.4.2-intel-2018b

• PLUMED/2.5.0-foss-2018b-Python-2.7.15

• PLUMED/2.5.0-intel-2018b

• PLUMED/2.5.1-foss-2019a

• PLUMED/2.5.3-foss-2019b-Python-3.7.4

• PLUMED/2.5.3-intel-2019b-Python-3.7.4

PLY

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

Installed versions:

• PLY/3.10-intel-2017a-Python-2.7.13

• PLY/3.11-intel-2018a-Python-2.7.14

• PLY/3.11-intel-2018a-Python-3.6.4

PnetCDF

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

Installed versions:

• PnetCDF/1.8.1-intel-2016a

• PnetCDF/1.8.1-intel-2017a

• PnetCDF/1.8.1-intel-2018a

• PnetCDF/1.9.0-intel-2018a

• PnetCDF/1.9.0-intel-2018b

• PnetCDF/1.11.0-intel-2019a

pompi

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

Installed versions:

• pompi/2017.09

• pompi/2018.07

• pompi/2020.04

PROJ

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

Installed versions:

• PROJ/4.9.3-foss-2017a

• PROJ/4.9.3-foss-2017b

• PROJ/4.9.3-intel-2017a

• PROJ/4.9.3-intel-2017b

• PROJ/5.0.0-foss-2018a

• PROJ/5.0.0-intel-2018a

• PROJ/5.1.0-foss-2018b

• PROJ/5.1.0-intel-2018b

• PROJ/6.0.0-GCCcore-8.2.0

• PROJ/6.2.1-GCCcore-8.3.0

• PROJ/7.0.0-GCCcore-9.3.0

protobuf

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

Installed versions:

• protobuf/3.6.1-GCCcore-7.3.0

pybind11

Description: pybind11 is a lightweight header-only library that exposes C++ types in Python and vice versa, mainly to create Python bindings of existing C++ code. Homepage: https://pybind11.readthedocs.io

Installed versions:

• pybind11/2.4.3-GCCcore-9.3.0-Python-3.8.2

Python

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

Installed versions:

• Python/2.7.10-gimkl-2.11.5

• Python/2.7.11-intel-2016a

• Python/2.7.13-foss-2017a

• Python/2.7.13-intel-2017a

• Python/2.7.13-iomkl-2017a

• Python/2.7.14-GCCcore-6.4.0-bare

• Python/2.7.14-foss-2017b

• Python/2.7.14-foss-2018a

• Python/2.7.14-intel-2017b

• Python/2.7.14-intel-2018a

• Python/2.7.14-iomkl-2017b

• Python/2.7.14-iomkl-2018a

• Python/2.7.15-GCCcore-7.3.0-bare

• Python/2.7.15-GCCcore-8.2.0

• Python/2.7.15-foss-2018b

• Python/2.7.15-intel-2018b

• Python/2.7.15-iomkl-2018b

• Python/2.7.16-GCCcore-8.3.0

• Python/2.7.18-GCCcore-9.3.0

• Python/3.6.1-foss-2017a

• Python/3.6.1-intel-2017a

• Python/3.6.1-iomkl-2017a

• Python/3.6.2-foss-2017b

• Python/3.6.2-intel-2017b

• Python/3.6.2-iomkl-2017b

• Python/3.6.4-foss-2018a

• Python/3.6.4-intel-2018a

• Python/3.6.4-iomkl-2018a

• Python/3.6.6-foss-2018b

• Python/3.6.6-intel-2018b

• Python/3.6.6-iomkl-2018b

• Python/3.7.2-GCCcore-8.2.0

• Python/3.7.4-GCCcore-8.3.0

• Python/3.8.2-GCCcore-9.3.0

PyYAML

Description: PyYAML is a YAML parser and emitter for the Python programming language. Homepage: https://github.com/yaml/pyyaml

Installed versions:

• PyYAML/3.12-foss-2018a-Python-3.6.4

• PyYAML/3.12-intel-2018a-Python-3.6.4

• PyYAML/5.3-GCCcore-9.3.0

Qt

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

Installed versions:

• Qt/4.8.7-foss-2018a

• Qt/4.8.7-intel-2017a

• Qt/4.8.7-intel-2018a

Qt5

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

Installed versions:

• Qt5/5.10.1-foss-2018b

• Qt5/5.11.2-intel-2018b

• Qt5/5.12.3-GCCcore-8.2.0

• Qt5/5.13.1-GCCcore-8.3.0

• Qt5/5.14.1-GCCcore-9.3.0

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

Installed versions:

• QuantumESPRESSO/6.1-intel-2017a

• QuantumESPRESSO/6.3-intel-2018b

• QuantumESPRESSO/6.4.1-intel-2019a

• QuantumESPRESSO/6.5-intel-2019b

R

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

Installed versions:

• R/3.4.0-intel-2017a-X11-20170314

• R/3.4.3-intel-2017b-X11-20171023

• R/3.4.4-intel-2018a-X11-20180131

• R/3.5.1-intel-2018b

• R/3.6.0-intel-2019a

RDKit

Description: RDKit is a collection of cheminformatics and machine-learning software written in C++ and Python. Homepage: https://www.rdkit.org

Installed versions:

• RDKit/2020.03.3-foss-2020a-Python-3.8.2

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/

Installed versions:

• re2c/1.2.1-GCCcore-8.3.0

• re2c/1.3-GCCcore-9.3.0

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/

Installed versions:

• ROOT/6.12.06-intel-2018a-Python-2.7.14

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

Installed versions:

• Rosetta/3.9-foss-2018a

• Rosetta/2018.21.60230-foss-2018a

ScaLAPACK

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

Installed versions:

• ScaLAPACK/2.0.2-gompi-2017a-OpenBLAS-0.2.19-LAPACK-3.7.0

• ScaLAPACK/2.0.2-gompi-2017b-OpenBLAS-0.2.20

• ScaLAPACK/2.0.2-gompi-2018a-OpenBLAS-0.2.20

• ScaLAPACK/2.0.2-gompi-2018b-OpenBLAS-0.3.1

• ScaLAPACK/2.0.2-gompi-2019a-OpenBLAS-0.3.5

• ScaLAPACK/2.0.2-gompi-2019b

• ScaLAPACK/2.1.0-gompi-2020a

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://github.com/khinsen/ScientificPython

Installed versions:

• ScientificPython/2.9.4-foss-2017a-Python-2.7.13

• ScientificPython/2.9.4-foss-2018a-Python-2.7.14

• ScientificPython/2.9.4-intel-2017a-Python-2.7.13

• ScientificPython/2.9.4-intel-2018a-Python-2.7.14

scikit-build

Description: Scikit-Build, or skbuild, is an improved build system generator for CPython C/C++/Fortran/Cython extensions. Homepage: https://scikit-build.readthedocs.io/en/latest

Installed versions:

• scikit-build/0.10.0-foss-2020a-Python-3.8.2

SciPy-bundle

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

Installed versions:

• SciPy-bundle/2019.03-foss-2019a

• SciPy-bundle/2019.03-intel-2019a

• SciPy-bundle/2019.10-foss-2019b-Python-3.7.4

• SciPy-bundle/2019.10-intel-2019b-Python-3.7.4

• SciPy-bundle/2020.03-foss-2020a-Python-3.8.2

• SciPy-bundle/2020.03-intel-2020a-Python-3.8.2

SCons

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

Installed versions:

• SCons/3.0.1-GCCcore-7.3.0

• SCons/3.0.1-foss-2018a-Python-2.7.14

• SCons/3.0.5-GCCcore-8.2.0

• SCons/3.1.1-GCCcore-8.3.0

• SCons/3.1.2-GCCcore-9.3.0

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: https://gforge.inria.fr/projects/scotch/

Installed versions:

• SCOTCH/6.0.4-foss-2018a

• SCOTCH/6.0.4-gimkl-2.11.5

• SCOTCH/6.0.4-intel-2017a

• SCOTCH/6.0.4-intel-2018a

• SCOTCH/6.0.5-foss-2018b

• SCOTCH/6.0.6-foss-2018b

• SCOTCH/6.0.6-gompi-2019a

• SCOTCH/6.0.6-iimpi-2019a

• SCOTCH/6.0.6-intel-2018b

• SCOTCH/6.0.9-gompi-2019b

• SCOTCH/6.0.9-gompi-2020a

• SCOTCH/6.0.9-iimpi-2019b

• SCOTCH/6.0.9-iimpi-2020a

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/

Installed versions:

• Serf/1.3.9-GCCcore-7.3.0

• Serf/1.3.9-GCCcore-8.2.0

• Serf/1.3.9-GCCcore-9.3.0

• Serf/1.3.9-foss-2018a

Shapely

Description: Shapely is a BSD-licensed Python package for manipulation and analysis of planar geometric objects. It is based on the widely deployed GEOS (the engine of PostGIS) and JTS (from which GEOS is ported) libraries. Homepage: https://github.com/Toblerity/Shapely

Installed versions:

• Shapely/1.7.0-GCC-8.3.0-Python-3.7.4

• Shapely/1.7.0-intel-2018b-Python-2.7.15

• Shapely/1.7.0-intel-2018b-Python-3.6.6

• Shapely/1.7.1-GCC-9.3.0-Python-3.8.2

SHARC

Description: SHARC (Surface Hopping including ARbitrary Couplings) is a molecular dynamics program to study the excited-state dynamics of molecules. Homepage: https://sharc-md.org/

Installed versions:

• SHARC/2.1.1-intel-2018b-Python-3.6.6

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/

Installed versions:

• SLEPc/3.8.0-intel-2017a-Python-2.7.13

• SLEPc/3.8.2-intel-2018a-Python-2.7.14

• SLEPc/3.12.2-foss-2019b

• SLEPc/3.12.2-intel-2019b

slepc4py

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

Installed versions:

• slepc4py/3.8.0-intel-2017a-Python-2.7.13

• slepc4py/3.8.0-intel-2018a-Python-2.7.14

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

Installed versions:

• snappy/1.1.7-GCCcore-8.3.0

• snappy/1.1.8-GCCcore-9.3.0

spglib-python

Description: Spglib for Python. Spglib is a library for finding and handling crystal symmetries written in C. Homepage: https://pypi.python.org/pypi/spglib

Installed versions:

• spglib-python/1.16.0-intel-2020a-Python-3.8.2

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: https://github.com/sphinx-doc/sphinx

Installed versions:

• Sphinx/1.6.3-intel-2017a-Python-2.7.13

• Sphinx/1.6.3-intel-2018a-Python-2.7.14

• Sphinx/1.6.3-intel-2018a-Python-3.6.4

SQLite

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

Installed versions:

• SQLite/3.8.8.1-intel-2018a

• SQLite/3.8.10.2-gimkl-2.11.5

• SQLite/3.9.2-intel-2016a

• SQLite/3.17.0-GCCcore-6.3.0

• SQLite/3.17.0-GCCcore-7.3.0

• SQLite/3.20.1-GCCcore-6.4.0

• SQLite/3.21.0-GCCcore-6.4.0

• SQLite/3.24.0-GCCcore-7.3.0

• SQLite/3.27.2-GCCcore-8.2.0

• SQLite/3.29.0-GCCcore-8.3.0

• SQLite/3.31.1-GCCcore-9.3.0

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

Installed versions:

• STAR-CCM+/13.02.011

• STAR-CCM+/13.06.012-R8

• STAR-CCM+/15.02.007-R8

Subversion

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

Installed versions:

• Subversion/1.10.2-GCCcore-7.3.0

• Subversion/1.10.2-foss-2018a

• Subversion/1.12.0-GCCcore-8.2.0

• Subversion/1.14.0-GCCcore-9.3.0

SuiteSparse

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

Installed versions:

• SuiteSparse/4.5.5-foss-2018a-ParMETIS-4.0.3

• SuiteSparse/4.5.5-intel-2017a-ParMETIS-4.0.3

• SuiteSparse/4.5.5-intel-2018a-ParMETIS-4.0.3

• SuiteSparse/5.2.0-foss-2018b-ParMETIS-4.0.3

• SuiteSparse/5.2.0-intel-2018b-ParMETIS-4.0.3

• SuiteSparse/5.4.0-foss-2019a-METIS-5.1.0

• SuiteSparse/5.4.0-intel-2019a-METIS-5.1.0

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

• SuiteSparse/5.6.0-intel-2019b-METIS-5.1.0

• SuiteSparse/5.7.1-foss-2020a-METIS-5.1.0

• SuiteSparse/5.7.1-intel-2020a-METIS-5.1.0

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/

Installed versions:

• SWIG/3.0.12-GCCcore-8.2.0-Python-3.7.2

• SWIG/3.0.12-foss-2017a-Python-2.7.13

• SWIG/3.0.12-intel-2017a-Python-2.7.13

• SWIG/3.0.12-intel-2017b-Python-2.7.14

• SWIG/3.0.12-intel-2018a-Python-2.7.14

• SWIG/3.0.12-intel-2018a-Python-3.6.4

• SWIG/3.0.12-intel-2018b-Python-2.7.15

• SWIG/3.0.12-intel-2018b-Python-3.6.6

• SWIG/4.0.1-GCCcore-8.3.0

• SWIG/4.0.1-GCCcore-9.3.0

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/

Installed versions:

• sympy/1.0-foss-2017a-Python-2.7.13

• sympy/1.0-foss-2018a-Python-2.7.14

• sympy/1.0-intel-2017a-Python-2.7.13

• sympy/1.1-foss-2018a-Python-2.7.14

• sympy/1.1-intel-2018a-Python-2.7.14

• sympy/1.1-intel-2018a-Python-3.6.4

Szip

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

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

Installed versions:

• Szip/2.1-foss-2017a

• Szip/2.1-intel-2016a

• Szip/2.1-intel-2017a

• Szip/2.1-iomkl-2017a

• Szip/2.1.1-GCCcore-6.3.0

• Szip/2.1.1-GCCcore-6.4.0

• Szip/2.1.1-GCCcore-7.3.0

• Szip/2.1.1-GCCcore-8.2.0

• Szip/2.1.1-GCCcore-8.3.0

• Szip/2.1.1-GCCcore-9.3.0

tbb

Description: Intel(R) Threading Building Blocks (Intel(R) TBB) lets you easily write parallel C++ programs that take full advantage of multicore performance, that are portable, composable and have future-proof scalability. Homepage: https://github.com/oneapi-src/oneTBB

Installed versions:

• tbb/2017.2.132

• tbb/2017.6.196

• tbb/2018.1.163

• tbb/2018.4.222

• tbb/2019_U9-GCCcore-8.3.0

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/

Installed versions:

• Tcl/8.5.19-foss-2017a

• Tcl/8.6.3-intel-2018a

• Tcl/8.6.4-gimkl-2.11.5

• Tcl/8.6.4-intel-2016a

• Tcl/8.6.6-GCCcore-6.3.0

• Tcl/8.6.6-GCCcore-7.3.0

• Tcl/8.6.7-GCCcore-6.4.0

• Tcl/8.6.8-GCCcore-6.4.0

• Tcl/8.6.8-GCCcore-7.3.0

• Tcl/8.6.8-GCCcore-8.2.0

• Tcl/8.6.9-GCCcore-8.2.0

• Tcl/8.6.9-GCCcore-8.3.0

• Tcl/8.6.10-GCCcore-9.3.0

tcsh

Description: Tcsh is an enhanced, but completely compatible version of the Berkeley UNIX C shell (csh). It is a command language interpreter usable both as an interactive login shell and a shell script command processor. It includes a command-line editor, programmable word completion, spelling correction, a history mechanism, job control and a C-like syntax. Homepage: https://www.tcsh.org

Installed versions:

• tcsh/6.22.02-GCCcore-8.3.0

TensorFlow

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

Installed versions:

• TensorFlow/1.6.0-intel-2018a-Python-3.6.4

• TensorFlow/1.8.0-foss-2018a-Python-3.6.4

• TensorFlow/1.8.0-intel-2018a-Python-3.6.4

Theano

Description: Theano is a Python library that allows you to define, optimize, and evaluate mathematical expressions involving multi-dimensional arrays efficiently. Homepage: https://github.com/Theano/Theano

Installed versions:

• Theano/1.0.2-foss-2018a-Python-3.6.4

• Theano/1.0.2-intel-2018a-Python-3.6.4

time

Description: The `time’ command runs another program, then displays information about the resources used by that program, collected by the system while the program was running. Homepage: https://www.gnu.org/software/time/

Installed versions:

• time/1.9-GCCcore-8.3.0

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/

Installed versions:

• Tk/8.6.3-intel-2018a-no-X11

• Tk/8.6.4-gimkl-2.11.5-no-X11

• Tk/8.6.4-intel-2016a-no-X11

• Tk/8.6.6-intel-2017a

• Tk/8.6.7-intel-2017b

• Tk/8.6.8-GCCcore-6.4.0

• Tk/8.6.8-GCCcore-7.3.0

• Tk/8.6.8-foss-2018a

• Tk/8.6.9-GCCcore-8.2.0

• Tk/8.6.9-GCCcore-8.3.0

• Tk/8.6.10-GCCcore-9.3.0

Tkinter

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

Installed versions:

• Tkinter/2.7.13-intel-2017a-Python-2.7.13

• Tkinter/2.7.14-intel-2018a-Python-2.7.14

• Tkinter/2.7.15-intel-2018b-Python-2.7.15

• Tkinter/3.6.4-foss-2018a-Python-3.6.4

• Tkinter/3.6.4-intel-2018a-Python-3.6.4

• Tkinter/3.6.6-foss-2018b-Python-3.6.6

• Tkinter/3.6.6-intel-2018b-Python-3.6.6

• Tkinter/3.7.2-GCCcore-8.2.0

• Tkinter/3.7.4-GCCcore-8.3.0

• Tkinter/3.8.2-GCCcore-9.3.0

Togl

Description: A Tcl/Tk widget for OpenGL rendering. Homepage: https://sourceforge.net/projects/togl/

Installed versions:

• Togl/2.0-GCCcore-8.3.0

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

Installed versions:

• TotalView/2017.2.11

• TotalView/2018.3.8

• TotalView/2019.1.4

• TotalView/2020.0.25

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: https://github.com/trilinos/Trilinos

Installed versions:

• Trilinos/12.10.1-intel-2017a-Python-2.7.13

• Trilinos/12.12.1-intel-2018a-Python-2.7.14

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/

Installed versions:

• TURBOMOLE/7.3

• TURBOMOLE/7.3.bare

• TURBOMOLE/7.3.fixed

UCX

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

Homepage: http://www.openucx.org/

Installed versions:

• UCX/1.8.0-GCCcore-9.3.0

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/

Installed versions:

• UDUNITS/2.2.20-intel-2016a

• UDUNITS/2.2.24-foss-2017a

• UDUNITS/2.2.24-intel-2017a

• UDUNITS/2.2.26-GCCcore-8.2.0

• UDUNITS/2.2.26-GCCcore-8.3.0

• UDUNITS/2.2.26-GCCcore-9.3.0

• UDUNITS/2.2.26-foss-2018a

• UDUNITS/2.2.26-foss-2018b

• UDUNITS/2.2.26-intel-2018a

• UDUNITS/2.2.26-intel-2018b

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

Installed versions:

• UFL/2016.1.0-intel-2017a-Python-2.7.13

• UFL/2017.1.0-intel-2017a-Python-2.7.13

• UFL/2017.1.0-intel-2018a-Python-2.7.14

• UFL/2017.1.0-intel-2018a-Python-3.6.4

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

Installed versions:

• utf8proc/2.3.0-GCCcore-8.2.0

• utf8proc/2.5.0-GCCcore-9.3.0

util-linux

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

Installed versions:

• util-linux/2.28-intel-2016a

• util-linux/2.29.2-GCCcore-6.3.0

• util-linux/2.29.2-intel-2017a

• util-linux/2.29.2-intel-2018b

• util-linux/2.31-GCCcore-6.4.0

• util-linux/2.31.1-GCCcore-6.4.0

• util-linux/2.32-GCCcore-7.3.0

• util-linux/2.33-GCCcore-8.2.0

• util-linux/2.34-GCCcore-8.3.0

• util-linux/2.35-GCCcore-9.3.0

Valgrind

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

Installed versions:

• Valgrind/3.13.0-foss-2017a

• Valgrind/3.13.0-intel-2017a

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

Installed versions:

• Vim/8.1.0483-foss-2018b-Python-2.7.15

• Vim/8.1.0483-intel-2018a-Python-3.6.4

• Vim/8.1.1209-GCCcore-8.2.0-Python-3.7.2

VisIt

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

Installed versions:

• VisIt/2.13.0-intel-2017a

Voro++

Description: Voro++ is a software library for carrying out three-dimensional computations of the Voronoi tessellation. A distinguishing feature of the Voro++ library is that it carries out cell-based calculations, computing the Voronoi cell for each particle individually. It is particularly well-suited for applications that rely on cell-based statistics, where features of Voronoi cells (eg. volume, centroid, number of faces) can be used to analyze a system of particles. Homepage: http://math.lbl.gov/voro++/

Installed versions:

• Voro++/0.4.6-foss-2019b

• Voro++/0.4.6-intel-2019b

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

Installed versions:

• VTK/7.1.1-intel-2017a-Python-2.7.13

• VTK/8.0.1-intel-2018a-Python-2.7.14

• VTK/8.2.0-foss-2019a-Python-2.7.15

• VTK/8.2.0-intel-2019a-Python-3.7.2

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

Installed versions:

• VTune/2017_update1

• VTune/2018_update1

• VTune/2018_update3

• VTune/2019_update2

• VTune/2019_update3

• VTune/2019_update5

Wannier90

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

Installed versions:

• Wannier90/2.1.0-intel-2017a

• Wannier90/2.1.0-intel-2018a

• Wannier90/2.1.0-intel-2018b

wheel

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

Installed versions:

• wheel/0.30.0-intel-2018a-Python-3.6.4

• wheel/0.31.0-foss-2018a-Python-3.6.4

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

Installed versions:

• WPS/3.8.0-intel-2016a-dmpar

• WPS/3.8.1-DCLWRFGHG-DNO_LEAP_CALENDAR-intel-2016a-dmpar

• WPS/3.9.1-intel-2016a-dmpar

• WPS/.3.9.1-intel-2017a-dmpar

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

Installed versions:

• WRF/3.8.0-intel-2016a-dmpar

• WRF/3.8.1-DCLWRFGHG-DNO_LEAP_CALENDAR-intel-2016a-dmpar

• WRF/3.8.1-DCLWRFGHG-intel-2016a-dmpar

• WRF/3.9.1-intel-2016a-dmpar

• WRF/3.9.1-intel-2017a-dmpar

• WRF/4.1.3-intel-2019b-dmpar

X11

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

Installed versions:

• X11/20160819-intel-2016a

• X11/20170314-GCCcore-6.3.0

• X11/20170314-GCCcore-7.3.0

• X11/20171023-GCCcore-6.4.0

• X11/20180131-GCCcore-6.4.0

• X11/20180604-GCCcore-7.3.0

• X11/20190311-GCCcore-8.2.0

• X11/20190717-GCCcore-8.3.0

• X11/20200222-GCCcore-9.3.0

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: https://www.videolan.org/developers/x264.html

Installed versions:

• x264/20181203-GCCcore-7.3.0

• x264/20190413-GCCcore-8.2.0

• x264/20190925-GCCcore-8.3.0

• x264/20191217-GCCcore-9.3.0

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: https://x265.org/

Installed versions:

• x265/2.9-GCCcore-7.3.0

• x265/3.0-GCCcore-8.2.0

• x265/3.2-GCCcore-8.3.0

• x265/3.3-GCCcore-9.3.0

xextproto

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

Installed versions:

• xextproto/7.3.0-intel-2018a

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/

Installed versions:

• XML-Parser/2.44_01-GCCcore-4.9.3-Perl-5.24.0

• XML-Parser/2.44_01-GCCcore-6.4.0-Perl-5.26.0

• XML-Parser/2.44_01-GCCcore-6.4.0-Perl-5.26.1

• XML-Parser/2.44_01-GCCcore-7.3.0-Perl-5.28.0

xorg-macros

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

Installed versions:

• xorg-macros/1.19.1-GCCcore-6.3.0

• xorg-macros/1.19.1-GCCcore-6.4.0

• xorg-macros/1.19.2-GCCcore-7.3.0

• xorg-macros/1.19.2-GCCcore-8.2.0

• xorg-macros/1.19.2-GCCcore-8.3.0

• xorg-macros/1.19.2-GCCcore-9.3.0

xproto

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

Installed versions:

• xproto/7.0.27-intel-2018a

• xproto/7.0.31-GCCcore-6.3.0

• xproto/7.0.31-GCCcore-6.4.0

• xproto/7.0.31-GCCcore-7.3.0

• xproto/7.0.31-GCCcore-8.2.0

• xproto/7.0.31-GCCcore-8.3.0

• xproto/7.0.31-GCCcore-9.3.0

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

Installed versions:

• xtrans/1.3.5-intel-2018a

XZ

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

Installed versions:

• XZ/5.2.2-GCCcore-4.9.3

• XZ/5.2.2-intel-2016a

• XZ/5.2.3-GCCcore-6.3.0

• XZ/5.2.3-GCCcore-6.4.0

• XZ/5.2.3-GCCcore-7.3.0

• XZ/5.2.4-GCCcore-7.3.0

• XZ/5.2.4-GCCcore-8.2.0

• XZ/5.2.4-GCCcore-8.3.0

• XZ/5.2.5-GCCcore-9.3.0

yaff

Description: Yaff stands for ‘Yet another force field’. It is a pythonic force-field code. Homepage: https://molmod.github.io/yaff/

Installed versions:

• yaff/1.6.0-foss-2019b-Python-3.7.4

• yaff/1.6.0-intel-2019b-Python-3.7.4

Yasm

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

Installed versions:

• Yasm/1.3.0-GCCcore-7.3.0

• Yasm/1.3.0-GCCcore-8.2.0

• Yasm/1.3.0-GCCcore-8.3.0

• Yasm/1.3.0-GCCcore-9.3.0

YAXT

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

Installed versions:

• YAXT/0.5.1-intel-2016a

• YAXT/0.5.1-intel-2017a

• YAXT/0.5.1-intel-2018a

• YAXT/0.6.0-intel-2018b

• YAXT/0.6.2-iimpi-2019b

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/

Installed versions:

• ZeroMQ/4.2.5-foss-2018b

• ZeroMQ/4.3.2-GCCcore-8.2.0

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/

Installed versions:

• zlib/1.2.8

• zlib/1.2.8-GCC-4.9.3

• zlib/1.2.8-GCCcore-4.9.3

• zlib/1.2.8-GCCcore-6.3.0

• zlib/1.2.8-gimkl-2.11.5

• zlib/1.2.8-intel-2016a

• zlib/1.2.8-intel-2017a

• zlib/1.2.8-intel-2018a

• zlib/1.2.11

• zlib/1.2.11-GCCcore-6.3.0

• zlib/1.2.11-GCCcore-6.4.0

• zlib/1.2.11-GCCcore-7.2.0

• zlib/1.2.11-GCCcore-7.3.0

• zlib/1.2.11-GCCcore-8.2.0

• zlib/1.2.11-GCCcore-8.3.0

• zlib/1.2.11-GCCcore-9.3.0

zstd

Description: Zstandard is a real-time compression algorithm, providing high compression ratios. It offers a very wide range of compression/speed trade-off, while being backed by a very fast decoder. It also offers a special mode for small data, called dictionary compression, and can create dictionaries from any sample set. Homepage: https://facebook.github.io/zstd

Installed versions:

• zstd/1.4.4-GCCcore-9.3.0