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- modulefiles added
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gsell
2015-09-28 15:32:22 +02:00
parent e01e8cac0d
commit 3abedd8da0
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10
scripts/Compiler/H5root/modulefile Normal file
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#%Module1.0
set whatis "visualization tool for H5hut files"
set url "http://amas.psi.ch/"
set license "PSI"
set maintainer "Achim Gsell <achim.gsell@psi.ch>"
set help "
"
source $env(PSI_LIBMODULES)

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scripts/Compiler/OpenBLAS/modulefile Normal file
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#%Module1.0
set whatis "optimized BLAS and LAPACK library."
set url "http://www.openblas.net/"
set license "BSD"
set maintainer "Achim Gsell <achim.gsell@psi.ch>"
set help "
The BLAS (Basic Linear Algebra Subprograms) are routines that provide
standard building blocks for performing basic vector and matrix operations.
The Level 1 BLAS perform scalar, vector and vector-vector operations, the
Level 2 BLAS perform matrix-vector operations, and the Level 3 BLAS perform
matrix-matrix operations. Because the BLAS are efficient, portable, and
widely available, they are commonly used in the development of high quality
linear algebra software, LAPACK for example.
LAPACK (Linear Algebra PACKage) is written in Fortran 90 and provides
routines for solving systems of simultaneous linear equations, least-
squares solutions of linear systems of equations, eigenvalue problems,
and singular value problems. The associated matrix factorizations (LU,
Cholesky, QR, SVD, Schur, generalized Schur) are also provided, as are
related computations such as reordering of the Schur factorizations and
estimating condition numbers. Dense and banded matrices are handled, but
not general sparse matrices. In all areas, similar functionality is
provided for real and complex matrices, in both single and double precision.
"
source $env(PSI_LIBMODULES)
setenv BLASLIB $PREFIX/libopenblas.a

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scripts/Compiler/OpenBLAS_OMP/modulefile Normal file
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#%Module1.0
set whatis "optimized BLAS and LAPACK library compiled with OpenMP."
set url "http://www.openblas.net/"
set license "BSD"
set maintainer "Achim Gsell <achim.gsell@psi.ch>"
set help "
The BLAS (Basic Linear Algebra Subprograms) are routines that provide
standard building blocks for performing basic vector and matrix operations.
The Level 1 BLAS perform scalar, vector and vector-vector operations, the
Level 2 BLAS perform matrix-vector operations, and the Level 3 BLAS perform
matrix-matrix operations. Because the BLAS are efficient, portable, and
widely available, they are commonly used in the development of high quality
linear algebra software, LAPACK for example.
LAPACK (Linear Algebra PACKage) is written in Fortran 90 and provides
routines for solving systems of simultaneous linear equations, least-
squares solutions of linear systems of equations, eigenvalue problems,
and singular value problems. The associated matrix factorizations (LU,
Cholesky, QR, SVD, Schur, generalized Schur) are also provided, as are
related computations such as reordering of the Schur factorizations and
estimating condition numbers. Dense and banded matrices are handled, but
not general sparse matrices. In all areas, similar functionality is
provided for real and complex matrices, in both single and double precision.
"
source $env(PSI_LIBMODULES)
setenv OMP_NUM_THREADS 1
setenv BLASLIB $PREFIX/libopenblas.a

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scripts/Compiler/SuperLU/modulefile Normal file
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#%Module1.0
set whatis "library for direct solution of large, sparse, nonsymmetric systems of linear equations."
set url "http://crd-legacy.lbl.gov/~xiaoye/SuperLU/"
set license "BSD, see \$SUPERLU_DIR/share/doc/SuperLU/README"
set maintainer "Achim Gsell <achim.gsell@psi.ch>"
set help "
SuperLU is a general purpose library for the direct solution of large,
sparse, nonsymmetric systems of linear equations on high performance
machines. The library is written in C and is callable from either C or
Fortran. The library routines will perform an LU decomposition with
partial pivoting and triangular system solves through forward and back
substitution. The LU factorization routines can handle non-square
matrices but the triangular solves are performed only for square
matrices. The matrix columns may be preordered (before factorization)
either through library or user supplied routines. This preordering for
sparsity is completely separate from the factorization. Working
precision iterative refinement subroutines are provided for improved
backward stability. Routines are also provided to equilibrate the
system, estimate the condition number, calculate the relative backward
error, and estimate error bounds for the refined solutions.
"
source $env(PSI_LIBMODULES)

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scripts/Compiler/UMFPACK/modulefile Normal file
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#%Module1.0
set whatis "routines for solving unsymmetric sparse linear systems using the Unsymmetric MultiFrontal method."
set url "https://www.cise.ufl.edu/research/sparse/umfpack/"
set license "GNU GPL"
set maintainer "Achim Gsell <achim.gsell@psi.ch>"
set help "
UMFPACK is a set of routines for solving unsymmetric sparse linear systems,
Ax=b, using the Unsymmetric MultiFrontal method. Written in ANSI/ISO C, with
a MATLAB (Version 6.0 and later) interface. Appears as a built-in routine
(for lu, backslash, and forward slash) in MATLAB. Includes a MATLAB
interface, a C-callable interface, and a Fortran-callable interface. Note
that "UMFPACK" is pronounced in two syllables, "Umph Pack". It is not "You
Em Ef Pack".
"
source $env(PSI_LIBMODULES)

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scripts/Compiler/atlas/modulefile Normal file
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#%Module1.0
source $env(PSI_LIBMODULES)
set whatis "efficient BLAS and partial LAPACK implementation"
set url "http://math-atlas.sourceforge.net/"
set license "BSD-style license"
set maintainer "Achim Gsell <achim.gsell@psi.ch>"
set help "
The ATLAS (Automatically Tuned Linear Algebra Software) project is an
ongoing research effort focusing on applying empirical techniques in
order to provide portable performance. At present, it provides C and
Fortran77 interfaces to a portably efficient BLAS implementation, as
well as a few routines from LAPACK.
"

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scripts/Compiler/boost/modulefile Normal file
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#%Module1.0
set whatis "C++ libraries"
set url "http://www.boost.org"
set license "Boost Software License"
set maintainer "Achim Gsell <achim.gsell@psi.ch>"
set help "
Boost is a set of libraries for the C++ programming language that provide
support for tasks and structures such as linear algebra, pseudorandom number
generation, multithreading, image processing, regular expressions, and unit
testing. It contains over eighty individual libraries.
(Wikipedia)
"
source $env(PSI_LIBMODULES)

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scripts/Compiler/gsl/modulefile Normal file
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#%Module1.0
set whatis "GNU Scientific Library"
set url "http://www.gnu.org/software/gsl/"
set license "GNU GPL"
set maintainer "Achim Gsell <achim.gsell@psi.ch>"
set help "
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. There are
over 1000 functions in total with an extensive test suite.
"
source $env(PSI_LIBMODULES)

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scripts/Compiler/hdf5_serial/modulefile Normal file
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#%Module1.0
set whatis "Hierachical Data Format 5"
set url "http://www.hdfgroup.org/HDF5"
set license "HDF license (BSD-like)"
set maintainer "Achim Gsell <achim.gsell@psi.ch>"
set help "
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. HDF5 is
portable and is extensible, allowing applications to evolve in their use
of HDF5. The HDF5 Technology suite includes tools and applications for
managing, manipulating, viewing, and analyzing data in the HDF5 format.
"
source $env(PSI_LIBMODULES)
set-family HDF5_serial
conflict hdf5

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scripts/Compiler/mpich/modulefile Normal file
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#%Module1.0
set whatis "a high performance implementation of the MPI standard."
set url "http://www.mpich.org/"
set license "BSD-like"
set maintainer "Achim Gsell <achim.gsell@psi.ch>"
set help "
MPICH is a high-performance and widely portable implementation of the
MPI Standard, designed to implement all of MPI-1, MPI-2, and MPI-3 (in-
cluding dynamic process management, one-sided operations, parallel I/O,
and other extensions).
"
source $env(PSI_LIBMODULES)
set-family MPI
setenv MPICC $PREFIX/bin/mpicc
setenv MPICXX $PREFIX/bin/mpicxx
setenv MPIF77 $PREFIX/bin/mpif77
setenv MPIF90 $PREFIX/bin/mpif90
setenv MPIFC $PREFIX/bin/mpif90
setenv MPIFORTRAN $PREFIX/bin/mpif90
setenv MPIEXEC $PREFIX/bin/mpiexec
setenv MPIRUN $PREFIX/bin/mpirun

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scripts/Compiler/openmpi/modulefile Normal file
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#%Module1.0
module-whatis "open source MPI-2 implementation"
module-url "http://www.open-mpi.org/"
module-license "See \$OPENMPI_DIR/share/doc/openmpi/LICENSE"
module-maintainer "Achim Gsell <achim.gsell@psi.ch>"
module-help "
The Open MPI Project is an open source MPI-2 implementation that is
developed and maintained by a consortium of academic, research, and
industry partners. Open MPI is therefore able to combine the expertise,
technologies, and resources from all across the High Performance Computing
community in order to build the best MPI library available. Open MPI offers
advantages for system and software vendors, application developers and
computer science researchers.
"
module-addgroup MPI
setenv MPICC $PREFIX/bin/mpicc
setenv MPICXX $PREFIX/bin/mpicxx
setenv MPIF77 $PREFIX/bin/mpif77
setenv MPIF90 $PREFIX/bin/mpif90
setenv MPIFC $PREFIX/bin/mpif90
setenv MPIFORTRAN $PREFIX/bin/mpif90
setenv MPIEXEC $PREFIX/bin/mpiexec
setenv MPIRUN $PREFIX/bin/mpirun

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scripts/Compiler/root/modulefile Normal file
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#%Module1.0
set whatis "CERN root"
set url "http://root.cern.ch/"
set license "GNU LGPL v2"
set maintainer "Achim Gsell <achim.gsell@psi.ch>"
set help "
ROOT is an object-oriented framework aimed at solving the data analysis
challenges of high-energy physics. There are two key words in this
definition, object oriented and framework. First, we explain what we
mean by a framework and then why it is an object-oriented framework.
"
source $env(PSI_LIBMODULES)
setenv ROOTSYS $PREFIX

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scripts/Compiler/vtk/modulefile Normal file
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#%Module1.0
set whatis "Visualization ToolKit"
set url "http://www.vtk.org"
set license "Kitware, Inc., Insight Software Consortium (BSD-like)"
set maintainer "Achim Gsell <achim.gsell@psi.ch>"
set help "
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.
"
source $env(PSI_LIBMODULES)