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-rw-r--r--var/spack/repos/builtin/packages/SuiteSparse/package.py27
-rw-r--r--var/spack/repos/builtin/packages/arpack-ng/package.py57
-rw-r--r--var/spack/repos/builtin/packages/caliper/package.py25
-rw-r--r--var/spack/repos/builtin/packages/cmake/package.py20
-rw-r--r--var/spack/repos/builtin/packages/cryptopp/package.py31
-rw-r--r--var/spack/repos/builtin/packages/dakota/package.py55
-rw-r--r--var/spack/repos/builtin/packages/eigen/package.py5
-rw-r--r--var/spack/repos/builtin/packages/espresso/package.py65
-rw-r--r--var/spack/repos/builtin/packages/exodusii/exodus-cmake.patch12
-rw-r--r--var/spack/repos/builtin/packages/exodusii/package.py49
-rw-r--r--var/spack/repos/builtin/packages/fftw/package.py2
-rw-r--r--var/spack/repos/builtin/packages/fish/package.py3
-rw-r--r--var/spack/repos/builtin/packages/gcc/package.py9
-rw-r--r--var/spack/repos/builtin/packages/gromacs/package.py56
-rw-r--r--var/spack/repos/builtin/packages/hdf5/package.py9
-rw-r--r--var/spack/repos/builtin/packages/hpx5/package.py52
-rw-r--r--var/spack/repos/builtin/packages/hwloc/package.py4
-rw-r--r--var/spack/repos/builtin/packages/libedit/package.py2
-rw-r--r--var/spack/repos/builtin/packages/libgpg-error/package.py1
-rw-r--r--var/spack/repos/builtin/packages/llvm/package.py62
-rw-r--r--var/spack/repos/builtin/packages/m4/package.py13
-rw-r--r--var/spack/repos/builtin/packages/mpich/package.py9
-rw-r--r--var/spack/repos/builtin/packages/ndiff/package.py21
-rw-r--r--var/spack/repos/builtin/packages/netcdf/package.py10
-rw-r--r--var/spack/repos/builtin/packages/netlib-scalapack/package.py4
-rw-r--r--var/spack/repos/builtin/packages/openblas/package.py2
-rw-r--r--var/spack/repos/builtin/packages/opencv/package.py50
-rw-r--r--var/spack/repos/builtin/packages/openssl/package.py41
-rw-r--r--var/spack/repos/builtin/packages/parallel-netcdf/package.py20
-rw-r--r--var/spack/repos/builtin/packages/paraview/package.py1
-rw-r--r--var/spack/repos/builtin/packages/py-mpi4py/package.py2
-rw-r--r--var/spack/repos/builtin/packages/py-phonopy/package.py18
-rw-r--r--var/spack/repos/builtin/packages/py-pyyaml/package.py13
-rw-r--r--var/spack/repos/builtin/packages/py-wheel/package.py15
-rw-r--r--var/spack/repos/builtin/packages/python/package.py14
-rw-r--r--var/spack/repos/builtin/packages/qhull/package.py14
-rw-r--r--var/spack/repos/builtin/packages/qt/package.py3
-rw-r--r--var/spack/repos/builtin/packages/tetgen/package.py28
-rw-r--r--var/spack/repos/builtin/packages/triangle/package.py20
-rw-r--r--var/spack/repos/builtin/packages/trilinos/package.py38
-rw-r--r--var/spack/repos/builtin/packages/xz/package.py8
41 files changed, 821 insertions, 69 deletions
diff --git a/var/spack/repos/builtin/packages/SuiteSparse/package.py b/var/spack/repos/builtin/packages/SuiteSparse/package.py
new file mode 100644
index 0000000000..6e130d118f
--- /dev/null
+++ b/var/spack/repos/builtin/packages/SuiteSparse/package.py
@@ -0,0 +1,27 @@
+from spack import *
+
+
+class Suitesparse(Package):
+ """
+ SuiteSparse is a suite of sparse matrix algorithms
+ """
+ homepage = 'http://faculty.cse.tamu.edu/davis/suitesparse.html'
+ url = 'http://faculty.cse.tamu.edu/davis/SuiteSparse/SuiteSparse-4.5.1.tar.gz'
+
+ version('4.5.1', 'f0ea9aad8d2d1ffec66a5b6bfeff5319')
+
+ depends_on('blas')
+ depends_on('lapack')
+
+ depends_on('metis@5.1.0', when='@4.5.1')
+
+ def install(self, spec, prefix):
+ # The build system of SuiteSparse is quite old-fashioned
+ # It's basically a plain Makefile which include an header (SuiteSparse_config/SuiteSparse_config.mk)
+ # with a lot of convoluted logic in it.
+ # Any kind of customization will need to go through filtering of that file
+
+ # FIXME : this actually uses the current workaround
+ # FIXME : (blas / lapack always provide libblas and liblapack as aliases)
+ make('install', 'INSTALL=%s' % prefix, 'BLAS=-lblas', 'LAPACK=-llapack')
+
diff --git a/var/spack/repos/builtin/packages/arpack-ng/package.py b/var/spack/repos/builtin/packages/arpack-ng/package.py
new file mode 100644
index 0000000000..0b49d14202
--- /dev/null
+++ b/var/spack/repos/builtin/packages/arpack-ng/package.py
@@ -0,0 +1,57 @@
+from spack import *
+
+
+class ArpackNg(Package):
+ """
+ ARPACK-NG is a collection of Fortran77 subroutines designed to solve large scale eigenvalue problems.
+
+ Important Features:
+
+ * Reverse Communication Interface.
+ * Single and Double Precision Real Arithmetic Versions for Symmetric,
+ Non-symmetric, Standard or Generalized Problems.
+ * Single and Double Precision Complex Arithmetic Versions for Standard or
+ Generalized Problems.
+ * Routines for Banded Matrices - Standard or Generalized Problems.
+ * Routines for The Singular Value Decomposition.
+ * Example driver routines that may be used as templates to implement numerous
+ Shift-Invert strategies for all problem types, data types and precision.
+
+ This project is a joint project between Debian, Octave and Scilab in order to
+ provide a common and maintained version of arpack.
+
+ Indeed, no single release has been published by Rice university for the last
+ few years and since many software (Octave, Scilab, R, Matlab...) forked it and
+ implemented their own modifications, arpack-ng aims to tackle this by providing
+ a common repository and maintained versions.
+
+ arpack-ng is replacing arpack almost everywhere.
+ """
+ homepage = 'https://github.com/opencollab/arpack-ng'
+ url = 'https://github.com/opencollab/arpack-ng/archive/3.3.0.tar.gz'
+
+ version('3.3.0', 'ed3648a23f0a868a43ef44c97a21bad5')
+
+ variant('shared', default=True, description='Enables the build of shared libraries')
+ variant('mpi', default=False, description='Activates MPI support')
+
+ depends_on('blas')
+ depends_on('lapack')
+ depends_on('mpi', when='+mpi')
+
+ def install(self, spec, prefix):
+ # Apparently autotools are not bootstrapped
+ bootstrap = Executable('./bootstrap')
+
+ options = ['--prefix=%s' % prefix]
+
+ if '+mpi' in spec:
+ options.append('--enable-mpi')
+
+ if '~shared' in spec:
+ options.append('--enable-shared=no')
+
+ bootstrap()
+ configure(*options)
+ make()
+ make('install')
diff --git a/var/spack/repos/builtin/packages/caliper/package.py b/var/spack/repos/builtin/packages/caliper/package.py
new file mode 100644
index 0000000000..d51b4a4dd5
--- /dev/null
+++ b/var/spack/repos/builtin/packages/caliper/package.py
@@ -0,0 +1,25 @@
+from spack import *
+
+class Caliper(Package):
+ """
+ Caliper is a generic context annotation system. It gives programmers the
+ ability to provide arbitrary program context information to (performance)
+ tools at runtime.
+ """
+
+ homepage = "https://github.com/LLNL/Caliper"
+ url = ""
+
+ version('master', git='ssh://git@github.com:LLNL/Caliper.git')
+
+ variant('mpi', default=False, description='Enable MPI function wrappers.')
+
+ depends_on('libunwind')
+ depends_on('papi')
+ depends_on('mpi', when='+mpi')
+
+ def install(self, spec, prefix):
+ with working_dir('build', create=True):
+ cmake('..', *std_cmake_args)
+ make()
+ make("install")
diff --git a/var/spack/repos/builtin/packages/cmake/package.py b/var/spack/repos/builtin/packages/cmake/package.py
index f67ae21ebd..e20c1e4aeb 100644
--- a/var/spack/repos/builtin/packages/cmake/package.py
+++ b/var/spack/repos/builtin/packages/cmake/package.py
@@ -28,20 +28,22 @@ class Cmake(Package):
"""A cross-platform, open-source build system. CMake is a family of
tools designed to build, test and package software."""
homepage = 'https://www.cmake.org'
+ url = 'https://cmake.org/files/v3.4/cmake-3.4.3.tar.gz'
- version('2.8.10.2', '097278785da7182ec0aea8769d06860c',
- url = 'http://www.cmake.org/files/v2.8/cmake-2.8.10.2.tar.gz')
-
- version('3.0.2', 'db4c687a31444a929d2fdc36c4dfb95f',
- url = 'http://www.cmake.org/files/v3.0/cmake-3.0.2.tar.gz')
-
- version('3.4.0', 'cd3034e0a44256a0917e254167217fc8',
- url = 'http://cmake.org/files/v3.4/cmake-3.4.0.tar.gz')
+ version('3.4.3', '4cb3ff35b2472aae70f542116d616e63')
+ version('3.4.0', 'cd3034e0a44256a0917e254167217fc8')
+ version('3.3.1', '52638576f4e1e621fed6c3410d3a1b12')
+ version('3.0.2', 'db4c687a31444a929d2fdc36c4dfb95f')
+ version('2.8.10.2', '097278785da7182ec0aea8769d06860c')
variant('ncurses', default=True, description='Enables the build of the ncurses gui')
-
depends_on('ncurses', when='+ncurses')
+ def url_for_version(self, version):
+ """Handle CMake's version-based custom URLs."""
+ return 'https://cmake.org/files/v%s/cmake-%s.tar.gz' % (version.up_to(2), version)
+
+
def install(self, spec, prefix):
configure('--prefix=' + prefix,
'--parallel=' + str(make_jobs),
diff --git a/var/spack/repos/builtin/packages/cryptopp/package.py b/var/spack/repos/builtin/packages/cryptopp/package.py
new file mode 100644
index 0000000000..1693c4b160
--- /dev/null
+++ b/var/spack/repos/builtin/packages/cryptopp/package.py
@@ -0,0 +1,31 @@
+import glob
+from spack import *
+
+class Cryptopp(Package):
+ """Crypto++ is an open-source C++ library of cryptographic schemes. The
+ library supports a number of different cryptography algorithms, including
+ authenticated encryption schemes (GCM, CCM), hash functions (SHA-1, SHA2),
+ public-key encryption (RSA, DSA), and a few obsolete/historical encryption
+ algorithms (MD5, Panama)."""
+
+ homepage = "http://www.cryptopp.com/"
+ url = "http://www.cryptopp.com/cryptopp563.zip"
+
+ version('5.6.3', '3c5b70e2ec98b7a24988734446242d07')
+ version('5.6.2', '7ed022585698df48e65ce9218f6c6a67')
+
+ def install(self, spec, prefix):
+ make()
+
+ mkdirp(prefix.include)
+ for hfile in glob.glob('*.h*'):
+ install(hfile, prefix.include)
+
+ mkdirp(prefix.lib)
+ install('libcryptopp.a', prefix.lib)
+
+ def url_for_version(self, version):
+ version_tuple = tuple(v for v in iter(version))
+ version_string = reduce(lambda vs, nv: vs + str(nv), version_tuple, "")
+
+ return "%scryptopp%s.zip" % (Cryptopp.homepage, version_string)
diff --git a/var/spack/repos/builtin/packages/dakota/package.py b/var/spack/repos/builtin/packages/dakota/package.py
new file mode 100644
index 0000000000..5ec82ef83d
--- /dev/null
+++ b/var/spack/repos/builtin/packages/dakota/package.py
@@ -0,0 +1,55 @@
+from spack import *
+
+
+class Dakota(Package):
+ """
+ The Dakota toolkit provides a flexible, extensible interface between analysis codes and iterative systems
+ analysis methods. Dakota contains algorithms for:
+
+ - optimization with gradient and non gradient-based methods;
+ - uncertainty quantification with sampling, reliability, stochastic expansion, and epistemic methods;
+ - parameter estimation with nonlinear least squares methods;
+ - sensitivity/variance analysis with design of experiments and parameter study methods.
+
+ These capabilities may be used on their own or as components within advanced strategies such as hybrid optimization,
+ surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty.
+ """
+
+ homepage = 'https://dakota.sandia.gov/'
+ url = 'https://dakota.sandia.gov/sites/default/files/distributions/public/dakota-6.3-public.src.tar.gz'
+ _url_str = 'https://dakota.sandia.gov/sites/default/files/distributions/public/dakota-{version}-public.src.tar.gz'
+
+ version('6.3', '05a58d209fae604af234c894c3f73f6d')
+
+ variant('debug', default=False, description='Builds a debug version of the libraries')
+ variant('shared', default=True, description='Enables the build of shared libraries')
+ variant('mpi', default=True, description='Activates MPI support')
+
+ depends_on('blas')
+ depends_on('lapack')
+ depends_on('mpi', when='+mpi')
+
+ depends_on('python')
+ depends_on('boost')
+
+ def url_for_version(self, version):
+ return Dakota._url_str.format(version=version)
+
+ def install(self, spec, prefix):
+ options = []
+ options.extend(std_cmake_args)
+
+ options.extend(['-DCMAKE_BUILD_TYPE:STRING=%s' % ('Debug' if '+debug' in spec else 'Release'),
+ '-DBUILD_SHARED_LIBS:BOOL=%s' % ('ON' if '+shared' in spec else 'OFF')])
+
+ if '+mpi' in spec:
+ options.extend(['-DDAKOTA_HAVE_MPI:BOOL=ON',
+ '-DMPI_CXX_COMPILER:STRING=%s' % join_path(spec['mpi'].prefix.bin, 'mpicxx')])
+
+ build_directory = join_path(self.stage.path, 'spack-build')
+ source_directory = self.stage.source_path
+
+ with working_dir(build_directory, create=True):
+ cmake(source_directory, *options)
+ make()
+ make("install")
diff --git a/var/spack/repos/builtin/packages/eigen/package.py b/var/spack/repos/builtin/packages/eigen/package.py
index 44ee6819f5..e40046b452 100644
--- a/var/spack/repos/builtin/packages/eigen/package.py
+++ b/var/spack/repos/builtin/packages/eigen/package.py
@@ -41,13 +41,14 @@ class Eigen(Package):
variant('metis', default=True, description='Enables metis backend')
variant('scotch', default=True, description='Enables scotch backend')
variant('fftw', default=True, description='Enables FFTW backend')
+ variant('suitesparse', default=True, description='Enables SuiteSparse support')
- # TODO : dependency on SuiteSparse, googlehash, superlu, adolc missing
+ # TODO : dependency on googlehash, superlu, adolc missing
depends_on('metis', when='+metis')
depends_on('scotch', when='+scotch')
depends_on('fftw', when='+fftw')
-
+ depends_on('SuiteSparse', when='+suitesparse')
depends_on('mpfr@2.3.0:') # Eigen 3.2.7 requires at least 2.3.0
depends_on('gmp')
diff --git a/var/spack/repos/builtin/packages/espresso/package.py b/var/spack/repos/builtin/packages/espresso/package.py
new file mode 100644
index 0000000000..a2bf58f585
--- /dev/null
+++ b/var/spack/repos/builtin/packages/espresso/package.py
@@ -0,0 +1,65 @@
+from spack import *
+
+import os
+
+class Espresso(Package):
+ """
+ QE is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials
+ modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials.
+ """
+ homepage = 'http://quantum-espresso.org'
+ url = 'http://www.qe-forge.org/gf/download/frsrelease/204/912/espresso-5.3.0.tar.gz'
+
+ version('5.3.0', '6848fcfaeb118587d6be36bd10b7f2c3')
+
+ variant('mpi', default=True, description='Build Quantum-ESPRESSO with mpi support')
+ variant('openmp', default=False, description='Enables openMP support')
+ variant('scalapack', default=True, description='Enables scalapack support')
+ variant('elpa', default=True, description='Use elpa as an eigenvalue solver')
+
+ depends_on('blas')
+ depends_on('lapack')
+
+ depends_on('mpi', when='+mpi')
+ depends_on('fftw~mpi', when='~mpi')
+ depends_on('fftw+mpi', when='+mpi')
+ depends_on('scalapack', when='+scalapack+mpi') # TODO : + mpi needed to avoid false dependencies installation
+
+ def check_variants(self, spec):
+ error = 'you cannot ask for \'+{variant}\' when \'+mpi\' is not active'
+ if '+scalapack' in spec and '~mpi' in spec:
+ raise RuntimeError(error.format(variant='scalapack'))
+ if '+elpa' in spec and ('~mpi' in spec or '~scalapack' in spec):
+ raise RuntimeError(error.format(variant='elpa'))
+
+ def install(self, spec, prefix):
+ self.check_variants(spec)
+
+ options = ['-prefix=%s' % prefix]
+
+ if '+mpi' in spec:
+ options.append('--enable-parallel')
+
+ if '+openmp' in spec:
+ options.append('--enable-openmp')
+
+ if '+scalapack' in spec:
+ options.append('--with-scalapack=yes')
+
+ if '+elpa' in spec:
+ options.append('--with-elpa=yes')
+
+ # Add a list of directories to search
+ search_list = []
+ for name, dependency_spec in spec.dependencies.iteritems():
+ search_list.extend([dependency_spec.prefix.lib,
+ dependency_spec.prefix.lib64])
+
+ search_list = " ".join(search_list)
+ options.append('LIBDIRS=%s' % search_list)
+ options.append('F90=%s' % os.environ['FC'])
+
+ configure(*options)
+ make('all')
+ make('install')
+
diff --git a/var/spack/repos/builtin/packages/exodusii/exodus-cmake.patch b/var/spack/repos/builtin/packages/exodusii/exodus-cmake.patch
new file mode 100644
index 0000000000..25355269ca
--- /dev/null
+++ b/var/spack/repos/builtin/packages/exodusii/exodus-cmake.patch
@@ -0,0 +1,12 @@
+diff --git a/cmake-exodus b/cmake-exodus
+index 787fd9d..ed073a2 100755
+--- a/cmake-exodus
++++ b/cmake-exodus
+@@ -1,4 +1,6 @@
+-EXTRA_ARGS=$@
++#!/bin/bash
++
++EXTRA_ARGS=-DSEACASProj_ENABLE_CXX11=OFF
+
+ ### Change this to point to the compilers you want to use
+ CC=gcc
diff --git a/var/spack/repos/builtin/packages/exodusii/package.py b/var/spack/repos/builtin/packages/exodusii/package.py
new file mode 100644
index 0000000000..af258b7e6e
--- /dev/null
+++ b/var/spack/repos/builtin/packages/exodusii/package.py
@@ -0,0 +1,49 @@
+from spack import *
+
+# TODO: Add support for a C++11 enabled installation that filters out the
+# TODO: "C++11-Disabled" flag (but only if the spec compiler supports C++11).
+
+# TODO: Add support for parallel installation that uses MPI.
+
+# TODO: Create installation options for NetCDF that support larger page size
+# TODO: suggested by Exodus (see the repository "README" file).
+
+class Exodusii(Package):
+ """Exodus II is a C++/Fortran library developed to store and retrieve data for
+ finite element analyses. It's used for preprocessing (problem definition),
+ postprocessing (results visualization), and data transfer between codes.
+ An Exodus II data file is a random access, machine independent, binary
+ file that is written and read via C, C++, or Fortran API routines."""
+
+ homepage = "https://github.com/gsjaardema/seacas"
+ url = "https://github.com/gsjaardema/seacas/archive/master.zip"
+
+ version('2016-02-08', git='https://github.com/gsjaardema/seacas.git', commit='dcf3529')
+
+ # TODO: Make this a build dependency once build dependencies are supported
+ # (see: https://github.com/LLNL/spack/pull/378).
+ depends_on('cmake@2.8.7:')
+ depends_on('hdf5~shared~mpi')
+ depends_on('netcdf~mpi')
+
+ patch('exodus-cmake.patch')
+
+ def patch(self):
+ ff = FileFilter('cmake-exodus')
+
+ ff.filter('CMAKE_INSTALL_PREFIX:PATH=${ACCESS}',
+ 'CMAKE_INSTALL_PREFIX:PATH=%s' % self.spec.prefix, string=True)
+ ff.filter('NetCDF_DIR:PATH=${TPL}',
+ 'NetCDF_DIR:PATH=%s' % self.spec['netcdf'].prefix, string=True)
+ ff.filter('HDF5_ROOT:PATH=${TPL}',
+ 'HDF5_ROOT:PATH=%s' % self.spec['hdf5'].prefix, string=True)
+
+ def install(self, spec, prefix):
+ mkdirp('build')
+ cd('build')
+
+ cmake_exodus = Executable('../cmake-exodus')
+ cmake_exodus()
+
+ make()
+ make('install')
diff --git a/var/spack/repos/builtin/packages/fftw/package.py b/var/spack/repos/builtin/packages/fftw/package.py
index 4d2b964242..bc129aaf1a 100644
--- a/var/spack/repos/builtin/packages/fftw/package.py
+++ b/var/spack/repos/builtin/packages/fftw/package.py
@@ -47,6 +47,8 @@ class Fftw(Package):
depends_on('mpi', when='+mpi')
+ # TODO : add support for architecture specific optimizations as soon as targets are supported
+
def install(self, spec, prefix):
options = ['--prefix=%s' % prefix,
'--enable-shared',
diff --git a/var/spack/repos/builtin/packages/fish/package.py b/var/spack/repos/builtin/packages/fish/package.py
index 1225558705..b5a4a2d209 100644
--- a/var/spack/repos/builtin/packages/fish/package.py
+++ b/var/spack/repos/builtin/packages/fish/package.py
@@ -7,7 +7,8 @@ class Fish(Package):
homepage = "http://fishshell.com/"
url = "http://fishshell.com/files/2.2.0/fish-2.2.0.tar.gz"
- list_url = homepage
+ list_url = "http://fishshell.com/files/"
+ list_depth = 2
version('2.2.0', 'a76339fd14ce2ec229283c53e805faac48c3e99d9e3ede9d82c0554acfc7b77a')
diff --git a/var/spack/repos/builtin/packages/gcc/package.py b/var/spack/repos/builtin/packages/gcc/package.py
index 3e5895cfb8..f8958ee290 100644
--- a/var/spack/repos/builtin/packages/gcc/package.py
+++ b/var/spack/repos/builtin/packages/gcc/package.py
@@ -36,8 +36,6 @@ class Gcc(Package):
list_url = 'http://open-source-box.org/gcc/'
list_depth = 2
- DEPENDS_ON_ISL_PREDICATE = '@5.0:'
-
version('5.3.0', 'c9616fd448f980259c31de613e575719')
version('5.2.0', 'a51bcfeb3da7dd4c623e27207ed43467')
version('4.9.3', '6f831b4d251872736e8e9cc09746f327')
@@ -53,12 +51,11 @@ class Gcc(Package):
depends_on("mpfr")
depends_on("gmp")
- depends_on("mpc") # when @4.5:
+ depends_on("mpc", when='@4.5:')
+ depends_on("isl", when='@5.0:')
depends_on("binutils~libiberty", when='~gold')
depends_on("binutils~libiberty+gold", when='+gold')
- # Save these until we can do optional deps.
- depends_on("isl", when=DEPENDS_ON_ISL_PREDICATE)
#depends_on("ppl")
#depends_on("cloog")
@@ -91,7 +88,7 @@ class Gcc(Package):
"--with-as=%s/bin/as" % spec['binutils'].prefix]
options.extend(binutils_options)
# Isl
- if spec.satisfies(Gcc.DEPENDS_ON_ISL_PREDICATE):
+ if 'isl' in spec:
isl_options = ["--with-isl=%s" % spec['isl'].prefix]
options.extend(isl_options)
diff --git a/var/spack/repos/builtin/packages/gromacs/package.py b/var/spack/repos/builtin/packages/gromacs/package.py
new file mode 100644
index 0000000000..5fe8399308
--- /dev/null
+++ b/var/spack/repos/builtin/packages/gromacs/package.py
@@ -0,0 +1,56 @@
+from spack import *
+
+
+class Gromacs(Package):
+ """
+ GROMACS (GROningen MAchine for Chemical Simulations) is a molecular dynamics package primarily designed for
+ simulations of proteins, lipids and nucleic acids. It was originally developed in the Biophysical Chemistry
+ department of University of Groningen, and is now maintained by contributors in universities and research centers
+ across the world.
+
+ GROMACS is one of the fastest and most popular software packages available and can run on CPUs as well as GPUs.
+ It is free, open source released under the GNU General Public License. Starting from version 4.6, GROMACS is
+ released under the GNU Lesser General Public License.
+ """
+
+ homepage = 'http://www.gromacs.org'
+ url = 'ftp://ftp.gromacs.org/pub/gromacs/gromacs-5.1.2.tar.gz'
+
+ version('5.1.2', '614d0be372f1a6f1f36382b7a6fcab98')
+
+ variant('mpi', default=True, description='Activate MPI support')
+ variant('shared', default=True, description='Enables the build of shared libraries')
+ variant('debug', default=False, description='Enables debug mode')
+ variant('double', default=False, description='Produces a double precision version of the executables')
+
+ depends_on('mpi', when='+mpi')
+
+ depends_on('fftw')
+
+ # TODO : add GPU support
+
+ def install(self, spec, prefix):
+
+ options = []
+
+ if '+mpi' in spec:
+ options.append('-DGMX_MPI:BOOL=ON')
+
+ if '+double' in spec:
+ options.append('-DGMX_DOUBLE:BOOL=ON')
+
+ if '~shared' in spec:
+ options.append('-DBUILD_SHARED_LIBS:BOOL=OFF')
+
+ if '+debug' in spec:
+ options.append('-DCMAKE_BUILD_TYPE:STRING=Debug')
+ else:
+ options.append('-DCMAKE_BUILD_TYPE:STRING=Release')
+
+ options.extend(std_cmake_args)
+
+ with working_dir('spack-build', create=True):
+
+ cmake('..', *options)
+ make()
+ make('install')
diff --git a/var/spack/repos/builtin/packages/hdf5/package.py b/var/spack/repos/builtin/packages/hdf5/package.py
index 5321a191f0..ed4e7c35c9 100644
--- a/var/spack/repos/builtin/packages/hdf5/package.py
+++ b/var/spack/repos/builtin/packages/hdf5/package.py
@@ -42,10 +42,11 @@ class Hdf5(Package):
version('1.8.13', 'c03426e9e77d7766944654280b467289')
variant('debug', default=False, description='Builds a debug version of the library')
+ variant('shared', default=True, description='Builds a shared version of the library')
variant('cxx', default=True, description='Enable C++ support')
variant('fortran', default=True, description='Enable Fortran support')
- variant('unsupported', default=False, description='Enables unsupported configuration options')
+ variant('unsupported', default=True, description='Enables unsupported configuration options')
variant('mpi', default=False, description='Enable MPI support')
variant('szip', default=False, description='Enable szip support')
@@ -78,6 +79,11 @@ class Hdf5(Package):
else:
extra_args.append('--enable-production')
+ if '+shared' in spec:
+ extra_args.append('--enable-shared')
+ else:
+ extra_args.append('--enable-static-exec')
+
if '+unsupported' in spec:
extra_args.append("--enable-unsupported")
@@ -119,7 +125,6 @@ class Hdf5(Package):
configure(
"--prefix=%s" % prefix,
"--with-zlib=%s" % spec['zlib'].prefix,
- "--enable-shared", # TODO : this should be enabled by default, remove it?
*extra_args)
make()
make("install")
diff --git a/var/spack/repos/builtin/packages/hpx5/package.py b/var/spack/repos/builtin/packages/hpx5/package.py
new file mode 100644
index 0000000000..3dae3c4170
--- /dev/null
+++ b/var/spack/repos/builtin/packages/hpx5/package.py
@@ -0,0 +1,52 @@
+from spack import *
+import os
+
+class Hpx5(Package):
+ """The HPX-5 Runtime System. HPX-5 (High Performance ParalleX) is an
+ open source, portable, performance-oriented runtime developed at
+ CREST (Indiana University). HPX-5 provides a distributed
+ programming model allowing programs to run unmodified on systems
+ from a single SMP to large clusters and supercomputers with
+ thousands of nodes. HPX-5 supports a wide variety of Intel and ARM
+ platforms. It is being used by a broad range of scientific
+ applications enabling scientists to write code that performs and
+ scales better than contemporary runtimes."""
+ homepage = "http://hpx.crest.iu.edu"
+ url = "http://hpx.crest.iu.edu/release/hpx-2.0.0.tar.gz"
+
+ version('2.0.0', '3d2ff3aab6c46481f9ec65c5b2bfe7a6')
+ version('1.3.0', '2260ecc7f850e71a4d365a43017d8cee')
+ version('1.2.0', '4972005f85566af4afe8b71afbf1480f')
+ version('1.1.0', '646afb460ecb7e0eea713a634933ce4f')
+ version('1.0.0', '8020822adf6090bd59ed7fe465f6c6cb')
+
+ variant('debug', default=False, description='Build a debug version of HPX-5')
+ variant('photon', default=False, description='Enable Photon support')
+ variant('mpi', default=False, description='Enable MPI support')
+
+ depends_on("mpi", when='+mpi')
+ depends_on("mpi", when='+photon')
+
+ def install(self, spec, prefix):
+ extra_args = []
+ if '+debug' in spec:
+ extra_args.extend([
+ '--enable-debug',
+ 'CFLAGS=-g -O0'
+ ])
+ else:
+ extra_args.append('CFLAGS=-O3')
+
+ if '+mpi' in spec:
+ extra_args.append('--enable-mpi')
+
+ if '+photon' in spec:
+ extra_args.extend([
+ '--enable-mpi',
+ '--enable-photon'
+ ])
+
+ os.chdir("./hpx/")
+ configure('--prefix=%s' % prefix, *extra_args)
+ make()
+ make("install")
diff --git a/var/spack/repos/builtin/packages/hwloc/package.py b/var/spack/repos/builtin/packages/hwloc/package.py
index 60b315119b..ab7205646e 100644
--- a/var/spack/repos/builtin/packages/hwloc/package.py
+++ b/var/spack/repos/builtin/packages/hwloc/package.py
@@ -17,8 +17,8 @@ class Hwloc(Package):
list_url = "http://www.open-mpi.org/software/hwloc/"
list_depth = 3
- version('1.11.2', '486169cbe111cdea57be12638828ebbf')
- version('1.11.1', '002742efd3a8431f98d6315365a2b543')
+ version('1.11.2', 'e4ca55c2a5c5656da4a4e37c8fc51b23')
+ version('1.11.1', 'feb4e416a1b25963ed565d8b42252fdc')
version('1.9', '1f9f9155682fe8946a97c08896109508')
depends_on('libpciaccess')
diff --git a/var/spack/repos/builtin/packages/libedit/package.py b/var/spack/repos/builtin/packages/libedit/package.py
index bcd5212b9e..faed8bad37 100644
--- a/var/spack/repos/builtin/packages/libedit/package.py
+++ b/var/spack/repos/builtin/packages/libedit/package.py
@@ -7,6 +7,8 @@ class Libedit(Package):
version('3.1', '43cdb5df3061d78b5e9d59109871b4f6', url="http://thrysoee.dk/editline/libedit-20150325-3.1.tar.gz")
+ depends_on('ncurses')
+
def install(self, spec, prefix):
configure('--prefix=%s' % prefix)
diff --git a/var/spack/repos/builtin/packages/libgpg-error/package.py b/var/spack/repos/builtin/packages/libgpg-error/package.py
index 6c1d1a10a7..dd5fc2408a 100644
--- a/var/spack/repos/builtin/packages/libgpg-error/package.py
+++ b/var/spack/repos/builtin/packages/libgpg-error/package.py
@@ -9,6 +9,7 @@ class LibgpgError(Package):
homepage = "https://www.gnupg.org/related_software/libgpg-error"
url = "ftp://ftp.gnupg.org/gcrypt/libgpg-error/libgpg-error-1.18.tar.bz2"
+ version('1.21', 'ab0b5aba6d0a185b41d07bda804fd8b2')
version('1.18', '12312802d2065774b787cbfc22cc04e9')
def install(self, spec, prefix):
diff --git a/var/spack/repos/builtin/packages/llvm/package.py b/var/spack/repos/builtin/packages/llvm/package.py
index a2b2c6eccc..a8f19f9071 100644
--- a/var/spack/repos/builtin/packages/llvm/package.py
+++ b/var/spack/repos/builtin/packages/llvm/package.py
@@ -118,6 +118,21 @@ class Llvm(Package):
}
releases = [
{
+ 'version' : 'trunk',
+ 'repo' : 'http://llvm.org/svn/llvm-project/llvm/trunk',
+ 'resources' : {
+ 'compiler-rt' : 'http://llvm.org/svn/llvm-project/compiler-rt/trunk',
+ 'openmp' : 'http://llvm.org/svn/llvm-project/openmp/trunk',
+ 'polly' : 'http://llvm.org/svn/llvm-project/polly/trunk',
+ 'libcxx' : 'http://llvm.org/svn/llvm-project/libcxx/trunk',
+ 'libcxxabi' : 'http://llvm.org/svn/llvm-project/libcxxabi/trunk',
+ 'clang' : 'http://llvm.org/svn/llvm-project/cfe/trunk',
+ 'clang-tools-extra' : 'http://llvm.org/svn/llvm-project/clang-tools-extra/trunk',
+ 'lldb' : 'http://llvm.org/svn/llvm-project/lldb/trunk',
+ 'llvm-libunwind' : 'http://llvm.org/svn/llvm-project/libunwind/trunk',
+ }
+ },
+ {
'version' : '3.7.0',
'md5':'b98b9495e5655a672d6cb83e1a180f8e',
'resources' : {
@@ -161,15 +176,44 @@ class Llvm(Package):
]
for release in releases:
- version(release['version'], release['md5'], url=llvm_url % release)
-
- for name, md5 in release['resources'].items():
- resource(name=name,
- url=resources[name]['url'] % release,
- md5=md5,
- destination=resources[name]['destination'],
- when='@%(version)s' % release,
- placement=resources[name].get('placement', None))
+ if release['version'] == 'trunk' :
+ version(release['version'], svn=release['repo'])
+
+ for name, repo in release['resources'].items():
+ resource(name=name,
+ svn=repo,
+ destination=resources[name]['destination'],
+ when='@%(version)s' % release,
+ placement=resources[name].get('placement', None))
+ else:
+ version(release['version'], release['md5'], url=llvm_url % release)
+
+ for name, md5 in release['resources'].items():
+ resource(name=name,
+ url=resources[name]['url'] % release,
+ md5=md5,
+ destination=resources[name]['destination'],
+ when='@%(version)s' % release,
+ placement=resources[name].get('placement', None))
+
+ # SVN - current develop
+ version('develop', svn='http://llvm.org/svn/llvm-project/llvm/trunk')
+ resource(name='clang', svn='http://llvm.org/svn/llvm-project/cfe/trunk',
+ destination='tools', when='@develop', placement='clang')
+ resource(name='compiler-rt', svn='http://llvm.org/svn/llvm-project/compiler-rt/trunk',
+ destination='projects', when='@develop', placement='compiler-rt')
+ resource(name='openmp', svn='http://llvm.org/svn/llvm-project/openmp/trunk',
+ destination='projects', when='@develop', placement='openmp')
+ resource(name='libcxx', svn='http://llvm.org/svn/llvm-project/libcxx/trunk',
+ destination='projects', when='@develop', placement='libcxx')
+ resource(name='libcxxabi', svn='http://llvm.org/svn/llvm-project/libcxxabi/trunk',
+ destination='projects', when='@develop', placement='libcxxabi')
+ resource(name='polly', svn='http://llvm.org/svn/llvm-project/polly/trunk',
+ destination='tools', when='@develop', placement='polly')
+ resource(name='lldb', svn='http://llvm.org/svn/llvm-project/lldb/trunk',
+ destination='tools', when='@develop', placement='lldb')
+
+
def install(self, spec, prefix):
env['CXXFLAGS'] = self.compiler.cxx11_flag
diff --git a/var/spack/repos/builtin/packages/m4/package.py b/var/spack/repos/builtin/packages/m4/package.py
new file mode 100644
index 0000000000..5d76d8866b
--- /dev/null
+++ b/var/spack/repos/builtin/packages/m4/package.py
@@ -0,0 +1,13 @@
+from spack import *
+
+class M4(Package):
+ """GNU M4 is an implementation of the traditional Unix macro processor."""
+ homepage = "https://www.gnu.org/software/m4/m4.html"
+ url = "ftp://ftp.gnu.org/gnu/m4/m4-1.4.17.tar.gz"
+
+ version('1.4.17', 'a5e9954b1dae036762f7b13673a2cf76')
+
+ def install(self, spec, prefix):
+ configure("--prefix=%s" % prefix)
+ make()
+ make("install")
diff --git a/var/spack/repos/builtin/packages/mpich/package.py b/var/spack/repos/builtin/packages/mpich/package.py
index c856cfe277..c517defa83 100644
--- a/var/spack/repos/builtin/packages/mpich/package.py
+++ b/var/spack/repos/builtin/packages/mpich/package.py
@@ -48,10 +48,11 @@ class Mpich(Package):
def setup_dependent_environment(self, module, spec, dep_spec):
"""For dependencies, make mpicc's use spack wrapper."""
- os.environ['MPICH_CC'] = 'cc'
- os.environ['MPICH_CXX'] = 'c++'
- os.environ['MPICH_F77'] = 'f77'
- os.environ['MPICH_F90'] = 'f90'
+ os.environ['MPICH_CC'] = os.environ['CC']
+ os.environ['MPICH_CXX'] = os.environ['CXX']
+ os.environ['MPICH_F77'] = os.environ['F77']
+ os.environ['MPICH_F90'] = os.environ['FC']
+ os.environ['MPICH_FC'] = os.environ['FC']
def install(self, spec, prefix):
diff --git a/var/spack/repos/builtin/packages/ndiff/package.py b/var/spack/repos/builtin/packages/ndiff/package.py
new file mode 100644
index 0000000000..10e445c81e
--- /dev/null
+++ b/var/spack/repos/builtin/packages/ndiff/package.py
@@ -0,0 +1,21 @@
+from spack import *
+
+class Ndiff(Package):
+ """The ndiff tool is a binary utility that compares putatively similar files
+ while ignoring small numeric differernces. This utility is most often used
+ to compare files containing a lot of floating-point numeric data that
+ may be slightly different due to numeric error."""
+
+ homepage = "http://ftp.math.utah.edu/pub/ndiff/"
+ url = "http://ftp.math.utah.edu/pub/ndiff/ndiff-2.00.tar.gz"
+
+ version('2.00', '885548b4dc26e72c5455bebb5ba6c16d')
+ version('1.00', 'f41ffe5d12f36cd36b6311acf46eccdc')
+
+ def install(self, spec, prefix):
+ configure('--prefix=%s' % prefix)
+
+ mkdirp(prefix.bin)
+ mkdirp('%s/lib' % prefix.share)
+
+ make('install-exe', 'install-shrlib')
diff --git a/var/spack/repos/builtin/packages/netcdf/package.py b/var/spack/repos/builtin/packages/netcdf/package.py
index 3cd0b2ee7a..41a0d2b6f9 100644
--- a/var/spack/repos/builtin/packages/netcdf/package.py
+++ b/var/spack/repos/builtin/packages/netcdf/package.py
@@ -1,5 +1,6 @@
from spack import *
+
class Netcdf(Package):
"""NetCDF is a set of software libraries and self-describing, machine-independent
data formats that support the creation, access, and sharing of array-oriented
@@ -8,16 +9,18 @@ class Netcdf(Package):
homepage = "http://www.unidata.ucar.edu/software/netcdf/"
url = "ftp://ftp.unidata.ucar.edu/pub/netcdf/netcdf-4.3.3.tar.gz"
- version('4.4.0', 'f01cb26a0126dd9a6224e76472d25f6c')
+ version('4.4.0', 'cffda0cbd97fdb3a06e9274f7aef438e')
version('4.3.3', '5fbd0e108a54bd82cb5702a73f56d2ae')
+ variant('mpi', default=True, description='Enables MPI parallelism')
variant('fortran', default=False, description="Download and install NetCDF-Fortran")
variant('hdf4', default=False, description="Enable HDF4 support")
# Dependencies:
depends_on("curl") # required for DAP support
depends_on("hdf", when='+hdf4')
- depends_on("hdf5") # required for NetCDF-4 support
+ depends_on("hdf5+mpi~cxx", when='+mpi') # required for NetCDF-4 support
+ depends_on("hdf5~mpi", when='~mpi') # required for NetCDF-4 support
depends_on("zlib") # required for NetCDF-4 support
def install(self, spec, prefix):
@@ -41,6 +44,9 @@ class Netcdf(Package):
"--enable-dap"
]
+ if '+mpi' in spec:
+ config_args.append('--enable-parallel4')
+
CPPFLAGS.append("-I%s/include" % spec['hdf5'].prefix)
LDFLAGS.append( "-L%s/lib" % spec['hdf5'].prefix)
diff --git a/var/spack/repos/builtin/packages/netlib-scalapack/package.py b/var/spack/repos/builtin/packages/netlib-scalapack/package.py
index 5be91c4a40..22d538560e 100644
--- a/var/spack/repos/builtin/packages/netlib-scalapack/package.py
+++ b/var/spack/repos/builtin/packages/netlib-scalapack/package.py
@@ -22,8 +22,8 @@ class NetlibScalapack(Package):
def install(self, spec, prefix):
options = [
- "-DBUILD_SHARED_LIBS:BOOL=%s" % 'ON' if '+shared' in spec else 'OFF',
- "-DBUILD_STATIC_LIBS:BOOL=%s" % 'OFF' if '+shared' in spec else 'ON',
+ "-DBUILD_SHARED_LIBS:BOOL=%s" % ('ON' if '+shared' in spec else 'OFF'),
+ "-DBUILD_STATIC_LIBS:BOOL=%s" % ('OFF' if '+shared' in spec else 'ON'),
"-DUSE_OPTIMIZED_LAPACK_BLAS:BOOL=ON", # forces scalapack to use find_package(LAPACK)
]
diff --git a/var/spack/repos/builtin/packages/openblas/package.py b/var/spack/repos/builtin/packages/openblas/package.py
index 9c8fa1c694..3c909360a4 100644
--- a/var/spack/repos/builtin/packages/openblas/package.py
+++ b/var/spack/repos/builtin/packages/openblas/package.py
@@ -19,7 +19,9 @@ class Openblas(Package):
with working_dir(prefix.lib):
symlink('libopenblas.a', 'blas.a')
symlink('libopenblas.a', 'libblas.a')
+ symlink('libopenblas.so', 'libblas.so')
# Lapack virtual package should provide liblapack.a
with working_dir(prefix.lib):
symlink('libopenblas.a', 'liblapack.a')
+ symlink('libopenblas.so', 'liblapack.so')
diff --git a/var/spack/repos/builtin/packages/opencv/package.py b/var/spack/repos/builtin/packages/opencv/package.py
new file mode 100644
index 0000000000..99b555323f
--- /dev/null
+++ b/var/spack/repos/builtin/packages/opencv/package.py
@@ -0,0 +1,50 @@
+from spack import *
+
+
+class Opencv(Package):
+ """
+ OpenCV is released under a BSD license and hence it's free for both academic and commercial use. It has C++, C,
+ Python and Java interfaces and supports Windows, Linux, Mac OS, iOS and Android. OpenCV was designed for
+ computational efficiency and with a strong focus on real-time applications. Written in optimized C/C++, the library
+ can take advantage of multi-core processing. Enabled with OpenCL, it can take advantage of the hardware
+ acceleration of the underlying heterogeneous compute platform. Adopted all around the world, OpenCV has more than
+ 47 thousand people of user community and estimated number of downloads exceeding 9 million. Usage ranges from
+ interactive art, to mines inspection, stitching maps on the web or through advanced robotics.
+ """
+ homepage = 'http://opencv.org/'
+ url = 'https://github.com/Itseez/opencv/archive/3.1.0.tar.gz'
+
+ version('3.1.0', '70e1dd07f0aa06606f1bc0e3fa15abd3')
+
+ variant('shared', default=True, description='Enables the build of shared libraries')
+ variant('debug', default=False, description='Builds a debug version of the libraries')
+
+ variant('eigen', default=True, description='Activates support for eigen')
+ variant('ipp', default=True, description='Activates support for IPP')
+
+ depends_on('zlib')
+ depends_on('libpng')
+ depends_on('libjpeg-turbo')
+ depends_on('libtiff')
+
+ depends_on('python')
+ depends_on('py-numpy')
+
+ depends_on('eigen', when='+eigen')
+
+ # FIXME : GUI extensions missing
+ # FIXME : CUDA extensions still missing
+
+ def install(self, spec, prefix):
+ cmake_options = []
+ cmake_options.extend(std_cmake_args)
+
+ cmake_options.extend(['-DCMAKE_BUILD_TYPE:STRING=%s' % ('Debug' if '+debug' in spec else 'Release'),
+ '-DBUILD_SHARED_LIBS:BOOL=%s' % ('ON' if '+shared' in spec else 'OFF'),
+ '-DENABLE_PRECOMPILED_HEADERS:BOOL=OFF',
+ '-DWITH_IPP:BOOL=%s' % ('ON' if '+ipp' in spec else 'OFF')])
+
+ with working_dir('spack_build', create=True):
+ cmake('..', *cmake_options)
+ make('VERBOSE=1')
+ make("install")
diff --git a/var/spack/repos/builtin/packages/openssl/package.py b/var/spack/repos/builtin/packages/openssl/package.py
index bbb169ec6b..c73102f05d 100644
--- a/var/spack/repos/builtin/packages/openssl/package.py
+++ b/var/spack/repos/builtin/packages/openssl/package.py
@@ -1,3 +1,6 @@
+import urllib
+import llnl.util.tty as tty
+
from spack import *
class Openssl(Package):
@@ -10,12 +13,50 @@ class Openssl(Package):
url = "http://www.openssl.org/source/openssl-1.0.1h.tar.gz"
version('1.0.1h', '8d6d684a9430d5cc98a62a5d8fbda8cf')
+ version('1.0.1r', '1abd905e079542ccae948af37e393d28')
version('1.0.2d', '38dd619b2e77cbac69b99f52a053d25a')
version('1.0.2e', '5262bfa25b60ed9de9f28d5d52d77fc5')
+ version('1.0.2f', 'b3bf73f507172be9292ea2a8c28b659d')
depends_on("zlib")
parallel = False
+ def url_for_version(self, version):
+ # This URL is computed pinging the place where the latest version is stored. To avoid slowdown
+ # due to repeated pinging, we store the URL in a private class attribute to do the job only once per version
+ openssl_urls = getattr(Openssl, '_openssl_url', {})
+ openssl_url = openssl_urls.get(version, None)
+ # Same idea, but just to avoid issuing the same message multiple times
+ warnings_given_to_user = getattr(Openssl, '_warnings_given', {})
+ if openssl_url is None:
+ latest = 'http://www.openssl.org/source/openssl-{version}.tar.gz'
+ older = 'http://www.openssl.org/source/old/{version_number}/openssl-{version_full}.tar.gz'
+ # Try to use the url where the latest tarballs are stored. If the url does not exist (404), then
+ # return the url for older format
+ version_number = '.'.join([str(x) for x in version[:-1]])
+ older_url = older.format(version_number=version_number, version_full=version)
+ latest_url = latest.format(version=version)
+ response = urllib.urlopen(latest.format(version=version))
+ if response.getcode() == 404:
+ openssl_url = older_url
+ # Checks if we already warned the user for this particular version of OpenSSL.
+ # If not we display a warning message and mark this version
+ if not warnings_given_to_user.get(version, False):
+ tty.warn('This installation depends on an old version of OpenSSL, which may have known security issues. ')
+ tty.warn('Consider updating to the latest version of this package.')
+ tty.warn('More details at {homepage}'.format(homepage=Openssl.homepage))
+ warnings_given_to_user[version] = True
+ else:
+ openssl_url = latest_url
+ # Store the computed URL
+ openssl_urls[version] = openssl_url
+ # Store the updated dictionary of URLS
+ Openssl._openssl_url = openssl_urls
+ # Store the updated dictionary of warnings
+ Openssl._warnings_given = warnings_given_to_user
+
+ return openssl_url
+
def install(self, spec, prefix):
# OpenSSL uses a variable APPS in its Makefile. If it happens to be set
# in the environment, then this will override what is set in the
diff --git a/var/spack/repos/builtin/packages/parallel-netcdf/package.py b/var/spack/repos/builtin/packages/parallel-netcdf/package.py
new file mode 100644
index 0000000000..62a8f7ca0b
--- /dev/null
+++ b/var/spack/repos/builtin/packages/parallel-netcdf/package.py
@@ -0,0 +1,20 @@
+from spack import *
+
+class ParallelNetcdf(Package):
+ """Parallel netCDF (PnetCDF) is a library providing high-performance
+ parallel I/O while still maintaining file-format compatibility with
+ Unidata's NetCDF."""
+
+ homepage = "https://trac.mcs.anl.gov/projects/parallel-netcdf"
+ url = "http://cucis.ece.northwestern.edu/projects/PnetCDF/Release/parallel-netcdf-1.6.1.tar.gz"
+
+ version('1.6.1', '62a094eb952f9d1e15f07d56e535052604f1ac34')
+
+ depends_on("m4")
+ depends_on("mpi")
+
+ def install(self, spec, prefix):
+ configure("--prefix=%s" % prefix,
+ "--with-mpi=%s" % spec['mpi'].prefix)
+ make()
+ make("install")
diff --git a/var/spack/repos/builtin/packages/paraview/package.py b/var/spack/repos/builtin/packages/paraview/package.py
index aaab352e66..e43bdd4493 100644
--- a/var/spack/repos/builtin/packages/paraview/package.py
+++ b/var/spack/repos/builtin/packages/paraview/package.py
@@ -14,6 +14,7 @@ class Paraview(Package):
variant('osmesa', default=False, description='Enable OSMesa support')
variant('qt', default=False, description='Enable Qt support')
+ variant('opengl2', default=False, description='Enable OPengl2 backend')
depends_on('python', when='+python')
depends_on('py-numpy', when='+python')
diff --git a/var/spack/repos/builtin/packages/py-mpi4py/package.py b/var/spack/repos/builtin/packages/py-mpi4py/package.py
index 8001689a18..f599205644 100644
--- a/var/spack/repos/builtin/packages/py-mpi4py/package.py
+++ b/var/spack/repos/builtin/packages/py-mpi4py/package.py
@@ -5,7 +5,9 @@ class PyMpi4py(Package):
homepage = "https://pypi.python.org/pypi/mpi4py"
url = "https://pypi.python.org/packages/source/m/mpi4py/mpi4py-1.3.1.tar.gz"
+ version('2.0.0', '4f7d8126d7367c239fd67615680990e3')
version('1.3.1', 'dbe9d22bdc8ed965c23a7ceb6f32fc3c')
+
extends('python')
depends_on('py-setuptools')
depends_on('mpi')
diff --git a/var/spack/repos/builtin/packages/py-phonopy/package.py b/var/spack/repos/builtin/packages/py-phonopy/package.py
new file mode 100644
index 0000000000..6d10fea74f
--- /dev/null
+++ b/var/spack/repos/builtin/packages/py-phonopy/package.py
@@ -0,0 +1,18 @@
+from spack import *
+
+class PyPhonopy(Package):
+ """Phonopy is an open source package for phonon
+ calculations at harmonic and quasi-harmonic levels."""
+ homepage = "http://atztogo.github.io/phonopy/index.html"
+ url = "http://sourceforge.net/projects/phonopy/files/phonopy/phonopy-1.10/phonopy-1.10.0.tar.gz"
+
+ version('1.10.0', '973ed1bcea46e21b9bf747aab9061ff6')
+
+ extends('python')
+ depends_on('py-numpy')
+ depends_on('py-scipy')
+ depends_on('py-matplotlib')
+ depends_on('py-pyyaml')
+
+ def install(self, spec, prefix):
+ python('setup.py', 'install', '--home=%s' % prefix)
diff --git a/var/spack/repos/builtin/packages/py-pyyaml/package.py b/var/spack/repos/builtin/packages/py-pyyaml/package.py
new file mode 100644
index 0000000000..cae42f6e59
--- /dev/null
+++ b/var/spack/repos/builtin/packages/py-pyyaml/package.py
@@ -0,0 +1,13 @@
+from spack import *
+
+class PyPyyaml(Package):
+ """PyYAML is a YAML parser and emitter for Python."""
+ homepage = "http://pyyaml.org/wiki/PyYAML"
+ url = "http://pyyaml.org/download/pyyaml/PyYAML-3.11.tar.gz"
+
+ version('3.11', 'f50e08ef0fe55178479d3a618efe21db')
+
+ extends('python')
+
+ def install(self, spec, prefix):
+ python('setup.py', 'install', '--prefix=%s' % prefix)
diff --git a/var/spack/repos/builtin/packages/py-wheel/package.py b/var/spack/repos/builtin/packages/py-wheel/package.py
new file mode 100644
index 0000000000..3118e74519
--- /dev/null
+++ b/var/spack/repos/builtin/packages/py-wheel/package.py
@@ -0,0 +1,15 @@
+from spack import *
+
+class PyWheel(Package):
+ """A built-package format for Python."""
+
+ homepage = "https://pypi.python.org/pypi/wheel"
+ url = "https://pypi.python.org/packages/source/w/wheel/wheel-0.26.0.tar.gz"
+
+ version('0.26.0', '4cfc6e7e3dc7377d0164914623922a10')
+
+ extends('python')
+ depends_on('py-setuptools')
+
+ def install(self, spec, prefix):
+ python('setup.py', 'install', '--prefix=%s' % prefix)
diff --git a/var/spack/repos/builtin/packages/python/package.py b/var/spack/repos/builtin/packages/python/package.py
index a1ce06feb0..58d401244e 100644
--- a/var/spack/repos/builtin/packages/python/package.py
+++ b/var/spack/repos/builtin/packages/python/package.py
@@ -55,6 +55,20 @@ class Python(Package):
make()
make("install")
+ # Modify compiler paths in configuration files. This is necessary for
+ # building site packages outside of spack
+ filter_file(r'([/s]=?)([\S=]*)/lib/spack/env(/[^\s/]*)?/(\S*)(\s)',
+ (r'\4\5'),
+ join_path(prefix.lib, 'python%d.%d' % self.version[:2], '_sysconfigdata.py'))
+
+ python3_version = ''
+ if spec.satisfies('@3:'):
+ python3_version = '-%d.%dm' % self.version[:2]
+ makefile_filepath = join_path(prefix.lib, 'python%d.%d' % self.version[:2], 'config%s' % python3_version, 'Makefile')
+ filter_file(r'([/s]=?)([\S=]*)/lib/spack/env(/[^\s/]*)?/(\S*)(\s)',
+ (r'\4\5'),
+ makefile_filepath)
+
# ========================================================================
# Set up environment to make install easy for python extensions.
diff --git a/var/spack/repos/builtin/packages/qhull/package.py b/var/spack/repos/builtin/packages/qhull/package.py
index f6712ced38..8f7c2f31b1 100644
--- a/var/spack/repos/builtin/packages/qhull/package.py
+++ b/var/spack/repos/builtin/packages/qhull/package.py
@@ -8,20 +8,20 @@ class Qhull(Package):
implements the Quickhull algorithm for computing the convex
hull. It handles roundoff errors from floating point
arithmetic. It computes volumes, surface areas, and
- approximations to the convex hull.
-
- Qhull does not support triangulation of non-convex surfaces,
- mesh generation of non-convex objects, medium-sized inputs in
- 9-D and higher, alpha shapes, weighted Voronoi diagrams,
- Voronoi volumes, or constrained Delaunay triangulations."""
+ approximations to the convex hull."""
homepage = "http://www.qhull.org"
+ version('7.2.0', 'e6270733a826a6a7c32b796e005ec3dc',
+ url="http://www.qhull.org/download/qhull-2015-src-7.2.0.tgz")
+
version('1.0', 'd0f978c0d8dfb2e919caefa56ea2953c',
url="http://www.qhull.org/download/qhull-2012.1-src.tgz")
# https://github.com/qhull/qhull/pull/5
- patch('qhull-iterator.patch')
+ patch('qhull-iterator.patch', when='@1.0')
+
+ depends_on('cmake')
def install(self, spec, prefix):
with working_dir('spack-build', create=True):
diff --git a/var/spack/repos/builtin/packages/qt/package.py b/var/spack/repos/builtin/packages/qt/package.py
index e8d843519d..91afa420c1 100644
--- a/var/spack/repos/builtin/packages/qt/package.py
+++ b/var/spack/repos/builtin/packages/qt/package.py
@@ -23,6 +23,7 @@ class Qt(Package):
version('3.3.8b', '9f05b4125cfe477cc52c9742c3c09009',
url="http://download.qt.io/archive/qt/3/qt-x11-free-3.3.8b.tar.gz")
+ variant('mesa', default=False, description='depend on mesa')
# Add patch for compile issues with qt3 found with use in the OpenSpeedShop project
variant('krellpatch', default=False, description="build with openspeedshop based patch.")
patch('qt3krell.patch', when='@3.3.8b+krellpatch')
@@ -48,7 +49,7 @@ class Qt(Package):
# depends_on("icu4c")
# OpenGL hardware acceleration
- depends_on("mesa", when='@4:')
+ depends_on("mesa", when='@4:+mesa')
depends_on("libxcb")
diff --git a/var/spack/repos/builtin/packages/tetgen/package.py b/var/spack/repos/builtin/packages/tetgen/package.py
new file mode 100644
index 0000000000..30c2b76655
--- /dev/null
+++ b/var/spack/repos/builtin/packages/tetgen/package.py
@@ -0,0 +1,28 @@
+from spack import *
+
+class Tetgen(Package):
+ """TetGen is a program and library that can be used to generate tetrahedral
+ meshes for given 3D polyhedral domains. TetGen generates exact constrained
+ Delaunay tetrahedralizations, boundary conforming Delaunay meshes, and
+ Voronoi paritions."""
+
+ homepage = "http://www.tetgen.org"
+ url = "http://www.tetgen.org/files/tetgen1.4.3.tar.gz"
+
+ version('1.4.3', 'd6a4bcdde2ac804f7ec66c29dcb63c18')
+
+ # TODO: Make this a build dependency once build dependencies are supported
+ # (see: https://github.com/LLNL/spack/pull/378).
+ depends_on('cmake@2.8.7:', when='@1.5.0:')
+
+ def install(self, spec, prefix):
+ make('tetgen', 'tetlib')
+
+ mkdirp(prefix.bin)
+ install('tetgen', prefix.bin)
+
+ mkdirp(prefix.include)
+ install('tetgen.h', prefix.include)
+
+ mkdirp(prefix.lib)
+ install('libtet.a', prefix.lib)
diff --git a/var/spack/repos/builtin/packages/triangle/package.py b/var/spack/repos/builtin/packages/triangle/package.py
new file mode 100644
index 0000000000..f65d93776d
--- /dev/null
+++ b/var/spack/repos/builtin/packages/triangle/package.py
@@ -0,0 +1,20 @@
+from spack import *
+
+class Triangle(Package):
+ """Triangle is a two-dimensional mesh generator and Delaunay
+ triangulator. Triangle generates exact Delaunay triangulations,
+ constrained Delaunay triangulations, conforming Delaunay
+ triangulations, Voronoi diagrams, and high-quality triangular
+ meshes."""
+
+ homepage = "http://www.cs.cmu.edu/~quake/triangle.html"
+ url = "http://www.netlib.org/voronoi/triangle.zip"
+
+ version('1.6', '10aff8d7950f5e0e2fb6dd2e340be2c9')
+
+ def install(self, spec, prefix):
+ make()
+ mkdirp(prefix.bin)
+
+ install('triangle', prefix.bin)
+ install('showme', prefix.bin)
diff --git a/var/spack/repos/builtin/packages/trilinos/package.py b/var/spack/repos/builtin/packages/trilinos/package.py
index 7c43f796a4..edc40476e3 100644
--- a/var/spack/repos/builtin/packages/trilinos/package.py
+++ b/var/spack/repos/builtin/packages/trilinos/package.py
@@ -10,40 +10,44 @@ class Trilinos(Package):
homepage = "https://trilinos.org/"
url = "http://trilinos.csbsju.edu/download/files/trilinos-12.2.1-Source.tar.gz"
+ version('12.4.2', '7c830f7f0f68b8ad324690603baf404e')
version('12.2.1', '6161926ea247863c690e927687f83be9')
version('12.0.1', 'bd99741d047471e127b8296b2ec08017')
version('11.14.3', '2f4f83f8333e4233c57d0f01c4b57426')
version('11.14.2', 'a43590cf896c677890d75bfe75bc6254')
version('11.14.1', '40febc57f76668be8b6a77b7607bb67f')
- variant('mpi', default=True, description='Add a dependency on MPI and enables MPI dependent packages')
+ variant('shared', default=True, description='Enables the build of shared libraries')
+ variant('debug', default=False, description='Builds a debug version of the libraries')
# Everything should be compiled with -fpic
depends_on('blas')
depends_on('lapack')
depends_on('boost')
- depends_on('netcdf')
depends_on('matio')
depends_on('glm')
depends_on('swig')
- depends_on('mpi', when='+mpi')
- def install(self, spec, prefix):
+ # MPI related dependencies
+ depends_on('mpi')
+ depends_on('netcdf+mpi')
+
+ depends_on('python') # Needs py-numpy activated
- options = [
- '-DTrilinos_ENABLE_ALL_PACKAGES:BOOL=ON',
- '-DTrilinos_ENABLE_TESTS:BOOL=OFF',
- '-DTrilinos_ENABLE_EXAMPLES:BOOL=OFF',
- '-DBUILD_SHARED_LIBS:BOOL=ON',
- '-DBLAS_LIBRARY_DIRS:PATH=%s' % spec['blas'].prefix,
- '-DLAPACK_LIBRARY_DIRS:PATH=%s' % spec['lapack'].prefix
- ]
- if '+mpi' in spec:
- mpi_options = ['-DTPL_ENABLE_MPI:BOOL=ON']
- options.extend(mpi_options)
-
- # -DCMAKE_INSTALL_PREFIX and all the likes...
+ def install(self, spec, prefix):
+ options = []
options.extend(std_cmake_args)
+
+ options.extend(['-DTrilinos_ENABLE_ALL_PACKAGES:BOOL=ON',
+ '-DTrilinos_ENABLE_TESTS:BOOL=OFF',
+ '-DTrilinos_ENABLE_EXAMPLES:BOOL=OFF',
+ '-DCMAKE_BUILD_TYPE:STRING=%s' % ('Debug' if '+debug' in spec else 'Release'),
+ '-DBUILD_SHARED_LIBS:BOOL=%s' % ('ON' if '+shared' in spec else 'OFF'),
+ '-DTPL_ENABLE_MPI:STRING=ON',
+ '-DBLAS_LIBRARY_DIRS:PATH=%s' % spec['blas'].prefix,
+ '-DLAPACK_LIBRARY_DIRS:PATH=%s' % spec['lapack'].prefix
+ ])
+
with working_dir('spack-build', create=True):
cmake('..', *options)
make()
diff --git a/var/spack/repos/builtin/packages/xz/package.py b/var/spack/repos/builtin/packages/xz/package.py
index ba6c9733a7..fdcac95345 100644
--- a/var/spack/repos/builtin/packages/xz/package.py
+++ b/var/spack/repos/builtin/packages/xz/package.py
@@ -8,11 +8,9 @@ class Xz(Package):
homepage = "http://tukaani.org/xz/"
url = "http://tukaani.org/xz/xz-5.2.0.tar.bz2"
- version('5.2.0', '867cc8611760240ebf3440bd6e170bb9',
- url = 'http://tukaani.org/xz/xz-5.2.0.tar.bz2')
- version('5.2.2', 'f90c9a0c8b259aee2234c4e0d7fd70af',
- url = 'http://tukaani.org/xz/xz-5.2.2.tar.bz2')
-
+ version('5.2.0', '867cc8611760240ebf3440bd6e170bb9')
+ version('5.2.2', 'f90c9a0c8b259aee2234c4e0d7fd70af')
+
def install(self, spec, prefix):
configure("--prefix=%s" % prefix)
make()