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Merge branch 'develop' into openmpi_variants

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This commit is contained in:
Massimiliano Culpo
2016-05-02 18:26:05 +02:00
parent 6cffac79bd 6dad59cb92
commit cfc25d0a92
71 changed files with 1723 additions and 417 deletions
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1
var/spack/repos/builtin/packages/astyle/package.py
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@@ -14,4 +14,5 @@ def install(self, spec, prefix):
make('-f',
join_path(self.stage.source_path,'build','clang','Makefile'),
parallel=False)
mkdirp(self.prefix.bin)
install(join_path(self.stage.source_path, 'src','bin','astyle'), self.prefix.bin)

4
var/spack/repos/builtin/packages/binutils/package.py
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@@ -12,6 +12,10 @@ class Binutils(Package):
version('2.23.2', '4f8fa651e35ef262edc01d60fb45702e')
version('2.20.1', '2b9dc8f2b7dbd5ec5992c6e29de0b764')
depends_on('m4')
depends_on('flex')
depends_on('bison')
# Add a patch that creates binutils libiberty_pic.a which is preferred by OpenSpeedShop and cbtf-krell
variant('krellpatch', default=False, description="build with openspeedshop based patch.")
variant('gold', default=True, description="build the gold linker")

4
var/spack/repos/builtin/packages/cereal/package.py
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@@ -1,4 +1,5 @@
from spack import *
import os
import shutil
class Cereal(Package):
@@ -30,5 +31,8 @@ def install(self, spec, prefix):
# Install
shutil.rmtree(join_path(prefix, 'doc'), ignore_errors=True)
shutil.rmtree(join_path(prefix, 'include'), ignore_errors=True)
shutil.rmtree(join_path(prefix, 'lib'), ignore_errors=True)
shutil.copytree('doc', join_path(prefix, 'doc'), symlinks=True)
shutil.copytree('include', join_path(prefix, 'include'), symlinks=True)
# Create empty directory to avoid linker warnings later
os.mkdir(join_path(prefix, 'lib'))

1
var/spack/repos/builtin/packages/cmake/package.py
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@@ -30,6 +30,7 @@ class Cmake(Package):
homepage = 'https://www.cmake.org'
url = 'https://cmake.org/files/v3.4/cmake-3.4.3.tar.gz'
version('3.5.2', '701386a1b5ec95f8d1075ecf96383e02')
version('3.5.1', 'ca051f4a66375c89d1a524e726da0296')
version('3.5.0', '33c5d09d4c33d4ffcc63578a6ba8777e')
version('3.4.3', '4cb3ff35b2472aae70f542116d616e63')

7
var/spack/repos/builtin/packages/dealii/package.py
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@@ -50,8 +50,8 @@ class Dealii(Package):
depends_on ("trilinos", when='+trilinos+mpi')
# developer dependnecies
#depends_on ("numdiff") #FIXME
#depends_on ("astyle") #FIXME
depends_on ("numdiff", when='@dev')
depends_on ("astyle@2.04", when='@dev')
def install(self, spec, prefix):
options = []
@@ -251,3 +251,6 @@ def install(self, spec, prefix):
cmake('.')
make('release')
make('run',parallel=False)
def setup_environment(self, spack_env, env):
env.set('DEAL_II_DIR', self.prefix)

1
var/spack/repos/builtin/packages/dia/package.py
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@@ -7,6 +7,7 @@ class Dia(Package):
version('0.97.3', '0e744a0f6a6c4cb6a089e4d955392c3c')
depends_on('intltool')
depends_on('gtkplus@2.6.0:')
depends_on('cairo')
#depends_on('libart') # optional dependency, not yet supported by spack.

1
var/spack/repos/builtin/packages/eigen/package.py
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@@ -45,6 +45,7 @@ class Eigen(Package):
# TODO : dependency on googlehash, superlu, adolc missing
depends_on('cmake')
depends_on('metis@5:', when='+metis')
depends_on('scotch', when='+scotch')
depends_on('fftw', when='+fftw')

122
var/spack/repos/builtin/packages/elk/package.py Normal file
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@@ -0,0 +1,122 @@
from spack import *
import spack
class Elk(Package):
'''An all-electron full-potential linearised augmented-plane wave
(FP-LAPW) code with many advanced features.'''
homepage = 'http://elk.sourceforge.net/'
url = 'https://sourceforge.net/projects/elk/files/elk-3.3.17.tgz'
version('3.3.17', 'f57f6230d14f3b3b558e5c71f62f0592')
# Elk provides these libraries, but allows you to specify your own
variant('blas', default=True, description='Build with custom BLAS library')
variant('lapack', default=True, description='Build with custom LAPACK library')
variant('fft', default=True, description='Build with custom FFT library')
# Elk does not provide these libraries, but allows you to use them
variant('mpi', default=True, description='Enable MPI parallelism')
variant('openmp', default=True, description='Enable OpenMP support')
variant('libxc', default=True, description='Link to Libxc functional library')
depends_on('blas', when='+blas')
depends_on('lapack', when='+lapack')
depends_on('fftw', when='+fft')
depends_on('mpi', when='+mpi')
depends_on('libxc', when='+libxc')
# Cannot be built in parallel
parallel = False
def configure(self, spec):
# Dictionary of configuration options
config = {
'MAKE': 'make',
'F90': join_path(spack.build_env_path, 'f90'),
'F77': join_path(spack.build_env_path, 'f77'),
'AR': 'ar',
'LIB_FFT': 'fftlib.a',
'SRC_MPI': 'mpi_stub.f90',
'SRC_OMP': 'omp_stub.f90',
'SRC_libxc': 'libxcifc_stub.f90',
'SRC_FFT': 'zfftifc.f90'
}
# Compiler-specific flags
flags = ''
if self.compiler.name == 'intel':
flags = '-O3 -ip -unroll -no-prec-div -openmp'
elif self.compiler.name == 'gcc':
flags = '-O3 -ffast-math -funroll-loops -fopenmp'
elif self.compiler.name == 'pgi':
flags = '-O3 -mp -lpthread'
elif self.compiler.name == 'g95':
flags = '-O3 -fno-second-underscore'
elif self.compiler.name == 'nag':
flags = '-O4 -kind=byte -dusty -dcfuns'
elif self.compiler.name == 'xl':
flags = '-O3 -qsmp=omp'
config['F90_OPTS'] = flags
config['F77_OPTS'] = flags
# BLAS/LAPACK support
blas = 'blas.a'
lapack = 'lapack.a'
if '+blas' in spec:
blas = join_path(spec['blas'].prefix.lib, 'libblas.so')
if '+lapack' in spec:
lapack = join_path(spec['lapack'].prefix.lib, 'liblapack.so')
config['LIB_LPK'] = ' '.join([lapack, blas]) # lapack must come before blas
# FFT support
if '+fft' in spec:
config['LIB_FFT'] = join_path(spec['fftw'].prefix.lib, 'libfftw3.so')
config['SRC_FFT'] = 'zfftifc_fftw.f90'
# MPI support
if '+mpi' in spec:
config.pop('SRC_MPI')
config['F90'] = join_path(spec['mpi'].prefix.bin, 'mpif90')
config['F77'] = join_path(spec['mpi'].prefix.bin, 'mpif77')
# OpenMP support
if '+openmp' in spec:
config.pop('SRC_OMP')
# Libxc support
if '+libxc' in spec:
config['LIB_libxc'] = ' '.join([
join_path(spec['libxc'].prefix.lib, 'libxcf90.so'),
join_path(spec['libxc'].prefix.lib, 'libxc.so')
])
config['SRC_libxc'] = ' '.join([
'libxc_funcs.f90',
'libxc.f90',
'libxcifc.f90'
])
# Write configuration options to include file
with open('make.inc', 'w') as inc:
for key in config:
inc.write('{0} = {1}\n'.format(key, config[key]))
def install(self, spec, prefix):
# Elk only provides an interactive setup script
self.configure(spec)
make()
make('test')
# The Elk Makefile does not provide an install target
mkdirp(prefix.bin)
install('src/elk', prefix.bin)
install('src/eos/eos', prefix.bin)
install('src/spacegroup/spacegroup', prefix.bin)
install_tree('examples', join_path(prefix, 'examples'))
install_tree('species', join_path(prefix, 'species'))

32
var/spack/repos/builtin/packages/git/package.py
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@@ -7,7 +7,8 @@ class Git(Package):
homepage = "http://git-scm.com"
url = "https://github.com/git/git/tarball/v2.7.1"
version('2.8.0-rc2', 'c2cf9f2cc70e35f2fafbaf9258f82e4c')
version('2.8.1', '1308448d95afa41a4135903f22262fc8')
version('2.8.0', 'eca687e46e9750121638f258cff8317b')
version('2.7.3', 'fa1c008b56618c355a32ba4a678305f6')
version('2.7.1', 'bf0706b433a8dedd27a63a72f9a66060')
@@ -23,18 +24,10 @@ class Git(Package):
#version('2.2.1', 'ff41fdb094eed1ec430aed8ee9b9849c')
# Git compiles with curl support by default on but if your system
# does not have it you will not be able to clone https repos
variant("curl", default=False, description="Add the internal support of curl for https clone")
# Git compiles with expat support by default on but if your system
# does not have it you will not be able to push https repos
variant("expat", default=False, description="Add the internal support of expat for https push")
depends_on("openssl")
depends_on("autoconf")
depends_on("curl", when="+curl")
depends_on("expat", when="+expat")
depends_on("curl")
depends_on("expat")
# Also depends_on gettext: apt-get install gettext (Ubuntu)
@@ -49,23 +42,12 @@ def install(self, spec, prefix):
"--prefix=%s" % prefix,
"--without-pcre",
"--with-openssl=%s" % spec['openssl'].prefix,
"--with-zlib=%s" % spec['zlib'].prefix
"--with-zlib=%s" % spec['zlib'].prefix,
"--with-curl=%s" % spec['curl'].prefix,
"--with-expat=%s" % spec['expat'].prefix,
]
if '+curl' in spec:
configure_args.append("--with-curl=%s" % spec['curl'].prefix)
if '+expat' in spec:
configure_args.append("--with-expat=%s" % spec['expat'].prefix)
which('autoreconf')('-i')
configure(*configure_args)
make()
make("install")

2
var/spack/repos/builtin/packages/gmp/package.py
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@@ -35,6 +35,8 @@ class Gmp(Package):
version('6.0.0a', 'b7ff2d88cae7f8085bd5006096eed470')
version('6.0.0' , '6ef5869ae735db9995619135bd856b84')
depends_on("m4")
def install(self, spec, prefix):
configure("--prefix=%s" % prefix)
make()

10
var/spack/repos/builtin/packages/hdf5/package.py
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@@ -38,7 +38,7 @@ class Hdf5(Package):
list_depth = 3
version('1.10.0', 'bdc935337ee8282579cd6bc4270ad199')
version('1.8.16', 'b8ed9a36ae142317f88b0c7ef4b9c618')
version('1.8.16', 'b8ed9a36ae142317f88b0c7ef4b9c618', preferred=True)
version('1.8.15', '03cccb5b33dbe975fdcd8ae9dc021f24')
version('1.8.13', 'c03426e9e77d7766944654280b467289')
@@ -101,10 +101,10 @@ def install(self, spec, prefix):
extra_args.append('--enable-cxx')
if '+fortran' in spec:
extra_args.extend([
'--enable-fortran',
'--enable-fortran2003'
])
extra_args.append('--enable-fortran')
# '--enable-fortran2003' no longer exists as of version 1.10.0
if spec.satisfies('@:1.8.16'):
extra_args.append('--enable-fortran2003')
if '+mpi' in spec:
# The HDF5 configure script warns if cxx and mpi are enabled

21
var/spack/repos/builtin/packages/hydra/package.py Normal file
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@@ -0,0 +1,21 @@
from spack import *
class Hydra(Package):
"""Hydra is a process management system for starting parallel jobs.
Hydra is designed to natively work with existing launcher daemons
(such as ssh, rsh, fork), as well as natively integrate with resource
management systems (such as slurm, pbs, sge)."""
homepage = "http://www.mpich.org"
url = "http://www.mpich.org/static/downloads/3.2/hydra-3.2.tar.gz"
list_url = "http://www.mpich.org/static/downloads/"
list_depth = 2
version('3.2', '4d670916695bf7e3a869cc336a881b39')
def install(self, spec, prefix):
configure('--prefix=%s' % prefix)
make()
make("install")

19
var/spack/repos/builtin/packages/intltool/package.py Normal file
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@@ -0,0 +1,19 @@
from spack import *
class Intltool(Package):
"""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/'
version('0.51.0', '12e517cac2b57a0121cda351570f1e63')
def url_for_version(self, version):
"""Handle version-based custom URLs."""
return 'https://launchpad.net/intltool/trunk/%s/+download/intltool-%s.tar.gz' % (version, version)
def install(self, spec, prefix):
# configure, build, install:
options = ['--prefix=%s' % prefix ]
configure(*options)
make()
make('install')

42
var/spack/repos/builtin/packages/ior/package.py Normal file
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@@ -0,0 +1,42 @@
from spack import *
import os
class Ior(Package):
"""The IOR software is used for benchmarking parallel file systems
using POSIX, MPI-IO, or HDF5 interfaces."""
homepage = "https://github.com/LLNL/ior"
url = "https://github.com/LLNL/ior/archive/3.0.1.tar.gz"
version('3.0.1', '71150025e0bb6ea1761150f48b553065')
variant('hdf5', default=False, description='support IO with HDF5 backend')
variant('ncmpi', default=False, description='support IO with NCMPI backend')
depends_on('mpi')
depends_on('hdf5+mpi', when='+hdf5')
depends_on('netcdf+mpi', when='+ncmpi')
def install(self, spec, prefix):
os.system('./bootstrap')
config_args = [
'MPICC=%s' % spec['mpi'].prefix.bin + '/mpicc',
'--prefix=%s' % prefix,
]
if '+hdf5' in spec:
config_args.append('--with-hdf5')
else:
config_args.append('--without-hdf5')
if '+ncmpi' in spec:
config_args.append('--with-ncmpi')
else:
config_args.append('--without-ncmpi')
configure(*config_args)
make()
make('install')

4
var/spack/repos/builtin/packages/jemalloc/package.py
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@@ -5,6 +5,7 @@ class Jemalloc(Package):
homepage = "http://www.canonware.com/jemalloc/"
url = "https://github.com/jemalloc/jemalloc/releases/download/4.0.4/jemalloc-4.0.4.tar.bz2"
version('4.1.0', 'c4e53c947905a533d5899e5cc3da1f94')
version('4.0.4', '687c5cc53b9a7ab711ccd680351ff988')
variant('stats', default=False, description='Enable heap statistics')
@@ -20,5 +21,8 @@ def install(self, spec, prefix):
configure(*configure_args)
# Don't use -Werror
filter_file(r'-Werror=\S*', '', 'Makefile')
make()
make("install")

68
var/spack/repos/builtin/packages/julia/openblas.patch Normal file
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@@ -0,0 +1,68 @@
diff --git a/deps/Makefile b/deps/Makefile
index 6cb73be..bcd8520 100644
--- a/deps/Makefile
+++ b/deps/Makefile
@@ -1049,7 +1049,7 @@ OPENBLAS_BUILD_OPTS += NO_AFFINITY=1
# Build for all architectures - required for distribution
ifeq ($(OPENBLAS_DYNAMIC_ARCH), 1)
-OPENBLAS_BUILD_OPTS += DYNAMIC_ARCH=1
+OPENBLAS_BUILD_OPTS += DYNAMIC_ARCH=1 MAKE_NO_J=1
endif
# 64-bit BLAS interface
@@ -1085,6 +1085,7 @@ OPENBLAS_BUILD_OPTS += NO_AVX2=1
endif
$(OPENBLAS_SRC_DIR)/config.status: $(OPENBLAS_SRC_DIR)/Makefile
+ cd $(dir $@) && patch -p1 < ../openblas-make.patch
ifeq ($(OS),WINNT)
cd $(dir $@) && patch -p1 < ../openblas-win64.patch
endif
diff --git a/deps/openblas.version b/deps/openblas.version
index 7c97e1b..58b9467 100644
--- a/deps/openblas.version
+++ b/deps/openblas.version
@@ -1,2 +1,2 @@
-OPENBLAS_BRANCH=v0.2.15
-OPENBLAS_SHA1=53e849f4fcae4363a64576de00e982722c7304f9
+OPENBLAS_BRANCH=v0.2.17
+OPENBLAS_SHA1=a71e8c82f6a9f73093b631e5deab1e8da716b61f
--- a/deps/openblas-make.patch
+++ b/deps/openblas-make.patch
@@ -0,0 +1,35 @@
+diff --git a/Makefile.system b/Makefile.system
+index b89f60e..2dbdad0 100644
+--- a/Makefile.system
++++ b/Makefile.system
+@@ -139,6 +139,10 @@ NO_PARALLEL_MAKE=0
+ endif
+ GETARCH_FLAGS += -DNO_PARALLEL_MAKE=$(NO_PARALLEL_MAKE)
+
++ifdef MAKE_NO_J
++GETARCH_FLAGS += -DMAKE_NO_J=$(MAKE_NO_J)
++endif
++
+ ifdef MAKE_NB_JOBS
+ GETARCH_FLAGS += -DMAKE_NB_JOBS=$(MAKE_NB_JOBS)
+ endif
+diff --git a/getarch.c b/getarch.c
+index f9c49e6..dffad70 100644
+--- a/getarch.c
++++ b/getarch.c
+@@ -1012,6 +1012,7 @@ int main(int argc, char *argv[]){
+ #endif
+ #endif
+
++#ifndef MAKE_NO_J
+ #ifdef MAKE_NB_JOBS
+ printf("MAKE += -j %d\n", MAKE_NB_JOBS);
+ #elif NO_PARALLEL_MAKE==1
+@@ -1021,6 +1022,7 @@ int main(int argc, char *argv[]){
+ printf("MAKE += -j %d\n", get_num_cores());
+ #endif
+ #endif
++#endif
+
+ break;
+

67
var/spack/repos/builtin/packages/julia/package.py
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@@ -4,43 +4,56 @@
class Julia(Package):
"""The Julia Language: A fresh approach to technical computing"""
homepage = "http://julialang.org"
url = "http://github.com/JuliaLang/julia/releases/download/v0.4.2/julia-0.4.2.tar.gz"
url = "https://github.com/JuliaLang/julia/releases/download/v0.4.3/julia-0.4.3-full.tar.gz"
version('0.4.3', '7b9f096798fca4bef262a64674bc2b52')
version('0.4.2', 'ccfeb4f4090c8b31083f5e1ccb03eb06')
version('master',
git='https://github.com/JuliaLang/julia.git', branch='master')
version('0.4.5', '69141ff5aa6cee7c0ec8c85a34aa49a6')
version('0.4.3', '8a4a59fd335b05090dd1ebefbbe5aaac')
patch('gc.patch')
patch('openblas.patch', when='@0.4:0.4.5')
# Build-time dependencies
depends_on("cmake @2.8:")
# Build-time dependencies:
# depends_on("awk")
# depends_on("m4")
# depends_on("pkg-config")
depends_on("python @2.6:2.9")
# I think that Julia requires the dependencies above, but it builds find (on
# my system) without these. We should enable them as necessary.
# Combined build-time and run-time dependencies:
depends_on("binutils")
depends_on("cmake @2.8:")
depends_on("git")
depends_on("openssl")
depends_on("python @2.7:2.999")
# Run-time dependencies
# I think that Julia requires the dependencies above, but it
# builds fine (on my system) without these. We should enable them
# as necessary.
# Run-time dependencies:
# depends_on("arpack")
# depends_on("fftw +float")
# depends_on("gmp")
# depends_on("libgit")
# depends_on("mpfr")
# depends_on("openblas")
# depends_on("pcre2")
# ARPACK: Requires BLAS and LAPACK; needs to use the same version as Julia.
# ARPACK: Requires BLAS and LAPACK; needs to use the same version
# as Julia.
# BLAS and LAPACK: Julia prefers 64-bit versions on 64-bit systems. OpenBLAS
# has an option for this; make it available as variant.
# BLAS and LAPACK: Julia prefers 64-bit versions on 64-bit
# systems. OpenBLAS has an option for this; make it available as
# variant.
# FFTW: Something doesn't work when using a pre-installed FFTW library; need
# to investigate.
# FFTW: Something doesn't work when using a pre-installed FFTW
# library; need to investigate.
# GMP, MPFR: Something doesn't work when using a pre-installed FFTW library;
# need to investigate.
# GMP, MPFR: Something doesn't work when using a pre-installed
# FFTW library; need to investigate.
# LLVM: Julia works only with specific versions, and might require patches.
# Thus we let Julia install its own LLVM.
# LLVM: Julia works only with specific versions, and might require
# patches. Thus we let Julia install its own LLVM.
# Other possible dependencies:
# USE_SYSTEM_OPENLIBM=0
@@ -50,11 +63,21 @@ class Julia(Package):
# USE_SYSTEM_UTF8PROC=0
# USE_SYSTEM_LIBGIT2=0
# Run-time dependencies for Julia packages:
depends_on("hdf5")
depends_on("mpi")
def install(self, spec, prefix):
# Explicitly setting CC, CXX, or FC breaks building libuv, one of
# Julia's dependencies. This might be a Darwin-specific problem. Given
# how Spack sets up compilers, Julia should still use Spack's compilers,
# even if we don't specify them explicitly.
if '@master' in spec:
# Julia needs to know the offset from a specific commit
git = which('git')
git('fetch', '--unshallow')
# Explicitly setting CC, CXX, or FC breaks building libuv, one
# of Julia's dependencies. This might be a Darwin-specific
# problem. Given how Spack sets up compilers, Julia should
# still use Spack's compilers, even if we don't specify them
# explicitly.
options = [#"CC=cc",
#"CXX=c++",
#"FC=fc",

3
var/spack/repos/builtin/packages/libpng/package.py
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@@ -8,6 +8,9 @@ class Libpng(Package):
version('1.6.16', '1a4ad377919ab15b54f6cb6a3ae2622d')
version('1.6.15', '829a256f3de9307731d4f52dc071916d')
version('1.6.14', '2101b3de1d5f348925990f9aa8405660')
version('1.5.26', '3ca98347a5541a2dad55cd6d07ee60a9')
version('1.4.19', '89bcbc4fc8b31f4a403906cf4f662330')
version('1.2.56', '9508fc59d10a1ffadd9aae35116c19ee')
depends_on('zlib')

18
var/spack/repos/builtin/packages/libxc/package.py Normal file
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@@ -0,0 +1,18 @@
from spack import *
class Libxc(Package):
"""Libxc is a library of exchange-correlation functionals for
density-functional theory."""
homepage = "http://www.tddft.org/programs/octopus/wiki/index.php/Libxc"
url = "http://www.tddft.org/programs/octopus/down.php?file=libxc/libxc-2.2.2.tar.gz"
version('2.2.2', 'd9f90a0d6e36df6c1312b6422280f2ec')
def install(self, spec, prefix):
configure('--prefix=%s' % prefix,
'--enable-shared')
make()
make("install")

5
var/spack/repos/builtin/packages/metis/package.py
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@@ -136,6 +136,7 @@ def install(self, spec, prefix):
source_directory = self.stage.source_path
options.append('-DGKLIB_PATH:PATH={metis_source}/GKlib'.format(metis_source=source_directory))
options.append('-DCMAKE_INSTALL_NAME_DIR:PATH=%s/lib' % prefix)
if '+shared' in spec:
options.append('-DSHARED:BOOL=ON')
@@ -184,7 +185,3 @@ def install(self, spec, prefix):
fs = glob.glob(join_path(source_directory,'GKlib',"*.h"))
for f in fs:
install(f, GKlib_dist)
# The shared library is not installed correctly on Darwin; correct this
if (sys.platform == 'darwin') and ('+shared' in spec):
fix_darwin_install_name(prefix.lib)

125
var/spack/repos/builtin/packages/mfem/package.py Normal file
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@@ -0,0 +1,125 @@
from spack import *
import glob, string
class Mfem(Package):
"""Free, lightweight, scalable C++ library for finite element methods."""
homepage = 'http://www.mfem.org'
url = 'https://github.com/mfem/mfem'
# version('3.1', git='https://github.com/mfem/mfem.git',
# commit='dbae60fe32e071989b52efaaf59d7d0eb2a3b574')
version('3.1', '841ea5cf58de6fae4de0f553b0e01ebaab9cd9c67fa821e8a715666ecf18fc57',
url='http://goo.gl/xrScXn', expand=False)
variant('metis', default=False, description='Activate support for metis')
variant('hypre', default=False, description='Activate support for hypre')
variant('suite-sparse', default=False,
description='Activate support for SuiteSparse')
variant('mpi', default=False, description='Activate support for MPI')
variant('lapack', default=False, description='Activate support for LAPACK')
variant('debug', default=False, description='Build debug version')
depends_on('blas', when='+lapack')
depends_on('lapack', when='+lapack')
depends_on('mpi', when='+mpi')
depends_on('metis', when='+mpi')
depends_on('hypre', when='+mpi')
depends_on('hypre', when='+hypre')
depends_on('metis@4:', when='+metis')
depends_on('suite-sparse', when='+suite-sparse')
depends_on('blas', when='+suite-sparse')
depends_on('lapack', when='+suite-sparse')
depends_on('metis@5:', when='+suite-sparse ^suite-sparse@4.5:')
depends_on('cmake', when='^metis@5:')
def check_variants(self, spec):
if '+mpi' in spec and ('+hypre' not in spec or '+metis' not in spec):
raise InstallError('mfem+mpi must be built with +hypre ' +
'and +metis!')
if '+suite-sparse' in spec and ('+metis' not in spec or
'+lapack' not in spec):
raise InstallError('mfem+suite-sparse must be built with ' +
'+metis and +lapack!')
if 'metis@5:' in spec and '%clang' in spec and ('^cmake %gcc' not in spec):
raise InstallError('To work around CMake bug with clang, must ' +
'build mfem with mfem[+variants] %clang ' +
'^cmake %gcc to force CMake to build with gcc')
return
def install(self, spec, prefix):
self.check_variants(spec)
options = ['PREFIX=%s' % prefix]
if '+lapack' in spec:
lapack_lib = '-L{0} -llapack -L{1} -lblas'.format(
spec['lapack'].prefix.lib, spec['blas'].prefix.lib)
options.extend(['MFEM_USE_LAPACK=YES',
'LAPACK_OPT=-I%s' % spec['lapack'].prefix.include,
'LAPACK_LIB=%s' % lapack_lib])
if '+hypre' in spec:
options.extend(['HYPRE_DIR=%s' % spec['hypre'].prefix,
'HYPRE_OPT=-I%s' % spec['hypre'].prefix.include,
'HYPRE_LIB=-L%s' % spec['hypre'].prefix.lib +
' -lHYPRE'])
if '+metis' in spec:
metis_lib = '-L%s -lmetis' % spec['metis'].prefix.lib
if spec['metis'].satisfies('@5:'):
metis_str = 'MFEM_USE_METIS_5=YES'
else:
metis_str = 'MFEM_USE_METIS_5=NO'
options.extend([metis_str,
'METIS_DIR=%s' % spec['metis'].prefix,
'METIS_OPT=-I%s' % spec['metis'].prefix.include,
'METIS_LIB=%s' % metis_lib])
if '+mpi' in spec: options.extend(['MFEM_USE_MPI=YES'])
if '+suite-sparse' in spec:
ssp = spec['suite-sparse'].prefix
ss_lib = '-L%s' % ssp.lib
ss_lib += (' -lumfpack -lcholmod -lcolamd -lamd -lcamd' +
' -lccolamd -lsuitesparseconfig')
no_librt_archs = ['darwin-i686', 'darwin-x86_64']
no_rt = any(map(lambda a: spec.satisfies('='+a), no_librt_archs))
if not no_rt: ss_lib += ' -lrt'
ss_lib += (' ' + metis_lib + ' ' + lapack_lib)
options.extend(['MFEM_USE_SUITESPARSE=YES',
'SUITESPARSE_DIR=%s' % ssp,
'SUITESPARSE_OPT=-I%s' % ssp.include,
'SUITESPARSE_LIB=%s' % ss_lib])
if '+debug' in spec: options.extend(['MFEM_DEBUG=YES'])
# Dirty hack to cope with URL redirect
tgz_file = string.split(self.url,'/')[-1]
tar = which('tar')
tar('xzvf', tgz_file)
cd(glob.glob('mfem*')[0])
# End dirty hack to cope with URL redirect
make('config', *options)
make('all')
# Run a small test before installation
args = ['-m', join_path('data','star.mesh'), '--no-visualization']
if '+mpi' in spec:
Executable(join_path(spec['mpi'].prefix.bin,
'mpirun'))('-np',
'4',
join_path('examples','ex1p'),
*args)
else:
Executable(join_path('examples', 'ex1'))(*args)
make('install')

154
var/spack/repos/builtin/packages/mrnet/krell-5.0.1.patch Normal file
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@@ -0,0 +1,154 @@
--- mrnet-3093918/include/mrnet/Types.h 2015-12-10 09:32:24.000000000 -0800
+++ mrnet_top_of_tree/include/mrnet/Types.h 2016-03-16 12:29:33.986132302 -0700
@@ -23,7 +23,7 @@
#ifndef MRNET_VERSION_MAJOR
# define MRNET_VERSION_MAJOR 5
# define MRNET_VERSION_MINOR 0
-# define MRNET_VERSION_REV 0
+# define MRNET_VERSION_REV 1
#endif
namespace MRN
--- mrnet-3093918/include/mrnet_lightweight/Types.h 2015-12-10 09:32:24.000000000 -0800
+++ mrnet_top_of_tree/include/mrnet_lightweight/Types.h 2016-03-16 12:29:33.987132302 -0700
@@ -30,7 +30,7 @@
#ifndef MRNET_VERSION_MAJOR
#define MRNET_VERSION_MAJOR 5
#define MRNET_VERSION_MINOR 0
-#define MRNET_VERSION_REV 0
+#define MRNET_VERSION_REV 1
#endif
void get_Version(int* major,
int* minor,
--- mrnet-3093918/src/lightweight/SerialGraph.c 2015-12-10 09:32:24.000000000 -0800
+++ mrnet_top_of_tree/src/lightweight/SerialGraph.c 2016-03-16 12:29:33.995132302 -0700
@@ -59,7 +59,7 @@
mrn_dbg_func_begin();
- sprintf(hoststr, "[%s:%hu:%u:", ihostname, iport, irank);
+ sprintf(hoststr, "[%s:%05hu:%u:", ihostname, iport, irank);
mrn_dbg(5, mrn_printf(FLF, stderr, "looking for SubTreeRoot: '%s'\n", hoststr));
byte_array = sg->byte_array;
@@ -110,7 +110,7 @@
mrn_dbg_func_begin();
- len = (size_t) sprintf(hoststr, "[%s:%hu:%u:0]", ihostname, iport, irank);
+ len = (size_t) sprintf(hoststr, "[%s:%05hu:%u:0]", ihostname, iport, irank);
mrn_dbg(5, mrn_printf(FLF, stderr, "adding sub tree leaf: %s\n", hoststr));
len += strlen(sg->byte_array) + 1;
@@ -139,7 +139,7 @@
mrn_dbg_func_begin();
- len = (size_t) sprintf(hoststr, "[%s:%hu:%u:1", ihostname, iport, irank);
+ len = (size_t) sprintf(hoststr, "[%s:%05hu:%u:1", ihostname, iport, irank);
mrn_dbg(5, mrn_printf(FLF, stderr, "adding sub tree root: %s\n", hoststr));
len += strlen(sg->byte_array) + 1;
@@ -360,8 +360,8 @@
char old_hoststr[256];
char new_hoststr[256];
- sprintf(old_hoststr, "[%s:%hu:%u:", hostname, UnknownPort, irank);
- sprintf(new_hoststr, "[%s:%hu:%u:", hostname, port, irank);
+ sprintf(old_hoststr, "[%s:%05hu:%u:", hostname, UnknownPort, irank);
+ sprintf(new_hoststr, "[%s:%05hu:%u:", hostname, port, irank);
old_byte_array = sg->byte_array;
new_byte_array = (char*) malloc( strlen(old_byte_array) + 10 );
--- mrnet-3093918/xplat/src/lightweight/SocketUtils.c 2015-12-10 09:32:24.000000000 -0800
+++ mrnet_top_of_tree/xplat/src/lightweight/SocketUtils.c 2016-03-16 12:29:34.006132303 -0700
@@ -15,7 +15,7 @@
#else
const XPlat_Socket InvalidSocket = INVALID_SOCKET;
#endif
-const XPlat_Port InvalidPort = (XPlat_Port)-1;
+const XPlat_Port InvalidPort = (XPlat_Port)0;
static bool_t SetTcpNoDelay( XPlat_Socket sock )
{
--- mrnet-3093918/conf/configure.in 2015-12-10 09:32:24.000000000 -0800
+++ mrnet_top_of_tree/conf/configure.in 2016-03-16 12:45:54.573196781 -0700
@@ -107,6 +107,18 @@
AC_SUBST(PURIFY)
+AC_ARG_WITH(expat,
+ [AS_HELP_STRING([--with-expat=PATH],
+ [Absolute path to installation of EXPAT libraries (note: specify the path to the directory containing "include" and "lib" sub-directories)])],
+ [EXPAT_DIR="${withval}"],
+ [EXPAT_DIR=""])
+
+if test "x$EXPAT_DIR" = "x" ; then
+ EXPAT_LIB=""
+else
+ EXPAT_LIB="-L$EXPAT_DIR/lib"
+fi
+
dnl === Checks for header files.
AC_CHECK_HEADERS([assert.h errno.h fcntl.h limits.h netdb.h signal.h stddef.h stdlib.h stdio.h string.h unistd.h arpa/inet.h netinet/in.h sys/ioctl.h sys/socket.h sys/sockio.h sys/time.h])
AC_HEADER_STDBOOL
@@ -432,7 +444,7 @@
CRAYXT_ATH_LIBS_SO="$CRAYXT_ATH_LIBS -lalps"
CRAYXT_ATH_LIBS="$CRAYXT_ATH_LIBS -Wl,-Bstatic -lalps -lxmlrpc -Wl,-Bdynamic"
CRAYXE_ATH_LIBS_SO="$CRAYXE_ATH_LIBS -lalps"
- CRAYXE_ATH_LIBS="$CRAYXE_ATH_LIBS -Wl,-Bstatic -lalps -lxmlrpc-epi -lexpat -Wl,-Bdynamic"
+ CRAYXE_ATH_LIBS="$CRAYXE_ATH_LIBS -Wl,-Bstatic -lalps -lxmlrpc-epi $EXPAT_LIB -lexpat -Wl,-Bdynamic"
AC_CHECK_LIB( [alps], [alps_launch_tool_helper],
[HAVE_ATH_LIBS="yes"; EXTRA_LIBS="$CRAYXT_ATH_LIBS $EXTRA_LIBS"; EXTRA_LIBS_SO="$CRAYXT_ATH_LIBS_SO $EXTRA_LIBS_SO"],
--- mrnet-3093918/configure 2015-12-10 09:32:24.000000000 -0800
+++ mrnet_top_of_tree/configure 2016-03-16 13:47:20.386439143 -0700
@@ -742,6 +742,7 @@
enable_debug
enable_ltwt_threadsafe
with_purify
+with_expat
'
ac_precious_vars='build_alias
host_alias
@@ -1399,6 +1400,9 @@
containing "include" and "lib" sub-directories)
--with-launchmon=PATH Absolute path to installation of LaunchMON
--with-purify Use purify for memory debugging
+ --with-expat=PATH Absolute path to installation of EXPAT libraries
+ (note: specify the path to the directory containing
+ "include" and "lib" sub-directories)
Some influential environment variables:
CC C compiler command
@@ -3541,6 +3545,21 @@
+# Check whether --with-expat was given.
+if test "${with_expat+set}" = set; then :
+ withval=$with_expat; EXPAT_DIR="${withval}"
+else
+ EXPAT_DIR=""
+fi
+
+
+if test "x$EXPAT_DIR" = "x" ; then
+ EXPAT_LIB=""
+else
+ EXPAT_LIB="-L$EXPAT_DIR/lib"
+fi
+
+
ac_ext=cpp
ac_cpp='$CXXCPP $CPPFLAGS'
ac_compile='$CXX -c $CXXFLAGS $CPPFLAGS conftest.$ac_ext >&5'
@@ -5473,7 +5492,7 @@
CRAYXT_ATH_LIBS_SO="$CRAYXT_ATH_LIBS -lalps"
CRAYXT_ATH_LIBS="$CRAYXT_ATH_LIBS -Wl,-Bstatic -lalps -lxmlrpc -Wl,-Bdynamic"
CRAYXE_ATH_LIBS_SO="$CRAYXE_ATH_LIBS -lalps"
- CRAYXE_ATH_LIBS="$CRAYXE_ATH_LIBS -Wl,-Bstatic -lalps -lxmlrpc-epi -lexpat -Wl,-Bdynamic"
+ CRAYXE_ATH_LIBS="$CRAYXE_ATH_LIBS -Wl,-Bstatic -lalps -lxmlrpc-epi $EXPAT_LIB -lexpat -Wl,-Bdynamic"
{ $as_echo "$as_me:${as_lineno-$LINENO}: checking for alps_launch_tool_helper in -lalps" >&5
$as_echo_n "checking for alps_launch_tool_helper in -lalps... " >&6; }

12
var/spack/repos/builtin/packages/mrnet/package.py
View File

@@ -3,11 +3,17 @@
class Mrnet(Package):
"""The MRNet Multi-Cast Reduction Network."""
homepage = "http://paradyn.org/mrnet"
url = "ftp://ftp.cs.wisc.edu/paradyn/mrnet/mrnet_4.0.0.tar.gz"
url = "ftp://ftp.cs.wisc.edu/paradyn/mrnet/mrnet_5.0.1.tar.gz"
list_url = "http://ftp.cs.wisc.edu/paradyn/mrnet"
version('4.0.0', 'd00301c078cba57ef68613be32ceea2f')
version('4.1.0', '5a248298b395b329e2371bf25366115c')
version('5.0.1', '17f65738cf1b9f9b95647ff85f69ecdd')
version('4.1.0', '5a248298b395b329e2371bf25366115c')
version('4.0.0', 'd00301c078cba57ef68613be32ceea2f')
# Add a patch that brings mrnet-5.0.1 up to date with the current development tree
# The development tree contains fixes needed for the krell based tools
variant('krellpatch', default=False, description="Build MRNet with krell openspeedshop based patch.")
patch('krell-5.0.1.patch', when='@5.0.1+krellpatch')
variant('lwthreads', default=False, description="Also build the MRNet LW threadsafe libraries")
parallel = False

20
var/spack/repos/builtin/packages/ncview/package.py Normal file
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@@ -0,0 +1,20 @@
from spack import *
class Ncview(Package):
"""Simple viewer for NetCDF files."""
homepage = "http://meteora.ucsd.edu/~pierce/ncview_home_page.html"
url = "ftp://cirrus.ucsd.edu/pub/ncview/ncview-2.1.7.tar.gz"
version('2.1.7', 'debd6ca61410aac3514e53122ab2ba07')
depends_on("netcdf")
depends_on("udunits2")
# OS Dependencies
# Ubuntu: apt-get install libxaw7-dev
# CentOS 7: yum install libXaw-devel
def install(self, spec, prefix):
configure('--prefix=%s' % prefix)
make()
make("install")

71
var/spack/repos/builtin/packages/openblas/package.py
View File

@@ -1,6 +1,7 @@
from spack import *
import sys
import os
import shutil
class Openblas(Package):
"""OpenBLAS: An optimized BLAS library"""
@@ -12,6 +13,8 @@ class Openblas(Package):
version('0.2.15', 'b1190f3d3471685f17cfd1ec1d252ac9')
variant('shared', default=True, description="Build shared libraries as well as static libs.")
variant('openmp', default=True, description="Enable OpenMP support.")
variant('fpic', default=True, description="Build position independent code")
# virtual dependency
provides('blas')
@@ -31,12 +34,19 @@ def install(self, spec, prefix):
if '+shared' in spec:
make_targets += ['shared']
else:
if '+fpic' in spec:
make_defs.extend(['CFLAGS=-fPIC', 'FFLAGS=-fPIC'])
make_defs += ['NO_SHARED=1']
# fix missing _dggsvd_ and _sggsvd_
if spec.satisfies('@0.2.16'):
make_defs += ['BUILD_LAPACK_DEPRECATED=1']
# Add support for OpenMP
# Note: Make sure your compiler supports OpenMP
if '+openmp' in spec:
make_defs += ['USE_OPENMP=1']
make_args = make_defs + make_targets
make(*make_args)
@@ -58,6 +68,10 @@ def install(self, spec, prefix):
if '+shared' in spec:
symlink('libopenblas.%s' % dso_suffix, 'liblapack.%s' % dso_suffix)
# Openblas may pass its own test but still fail to compile Lapack
# symbols. To make sure we get working Blas and Lapack, do a small test.
self.check_install(spec)
def setup_dependent_package(self, module, dspec):
# This is WIP for a prototype interface for virtual packages.
@@ -70,3 +84,60 @@ def setup_dependent_package(self, module, dspec):
if '+shared' in self.spec:
self.spec.blas_shared_lib = join_path(libdir, 'libopenblas.%s' % dso_suffix)
self.spec.lapack_shared_lib = self.spec.blas_shared_lib
def check_install(self, spec):
"Build and run a small program to test that we have Lapack symbols"
print "Checking Openblas installation..."
checkdir = "spack-check"
with working_dir(checkdir, create=True):
source = r"""
#include <cblas.h>
#include <stdio.h>
int main(void) {
int i=0;
double A[6] = {1.0, 2.0, 1.0, -3.0, 4.0, -1.0};
double B[6] = {1.0, 2.0, 1.0, -3.0, 4.0, -1.0};
double C[9] = {.5, .5, .5, .5, .5, .5, .5, .5, .5};
cblas_dgemm(CblasColMajor, CblasNoTrans, CblasTrans,
3, 3, 2, 1, A, 3, B, 3, 2, C, 3);
for (i = 0; i < 9; i++)
printf("%f\n", C[i]);
return 0;
}
"""
expected = """\
11.000000
-9.000000
5.000000
-9.000000
21.000000
-1.000000
5.000000
-1.000000
3.000000
"""
with open("check.c", 'w') as f:
f.write(source)
cc = which('cc')
# TODO: Automate these path and library settings
cc('-c', "-I%s" % join_path(spec.prefix, "include"), "check.c")
cc('-o', "check", "check.o",
"-L%s" % join_path(spec.prefix, "lib"), "-llapack", "-lblas", "-lpthread")
try:
check = Executable('./check')
output = check(return_output=True)
except:
output = ""
success = output == expected
if not success:
print "Produced output does not match expected output."
print "Expected output:"
print '-'*80
print expected
print '-'*80
print "Produced output:"
print '-'*80
print output
print '-'*80
raise RuntimeError("Openblas install check failed")
shutil.rmtree(checkdir)

13
var/spack/repos/builtin/packages/openblas/test_cblas_dgemm.c Normal file
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@@ -0,0 +1,13 @@
#include <cblas.h>
#include <stdio.h>
int main(void) {
int i=0;
double A[6] = {1.0, 2.0, 1.0, -3.0, 4.0, -1.0};
double B[6] = {1.0, 2.0, 1.0, -3.0, 4.0, -1.0};
double C[9] = {.5, .5, .5, .5, .5, .5, .5, .5, .5};
cblas_dgemm(CblasColMajor, CblasNoTrans, CblasTrans,
3, 3, 2, 1, A, 3, B, 3, 2, C, 3);
for (i = 0; i < 9; i++)
printf("%f\n", C[i]);
return 0;
}

9
var/spack/repos/builtin/packages/openblas/test_cblas_dgemm.output Normal file
View File

@@ -0,0 +1,9 @@
11.000000
-9.000000
5.000000
-9.000000
21.000000
-1.000000
5.000000
-1.000000
3.000000

6
var/spack/repos/builtin/packages/openmpi/package.py
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@@ -1,7 +1,5 @@
import os
from spack import *
import os
class Openmpi(Package):
"""Open MPI is a project combining technologies and resources from
@@ -46,7 +44,6 @@ class Openmpi(Package):
provides('mpi@:2.2', when='@1.6.5')
provides('mpi@:3.0', when='@1.7.5:')
depends_on('hwloc')
def url_for_version(self, version):
return "http://www.open-mpi.org/software/ompi/v%s/downloads/openmpi-%s.tar.bz2" % (version.up_to(2), version)
@@ -69,7 +66,6 @@ def verbs(self):
def install(self, spec, prefix):
config_args = ["--prefix=%s" % prefix,
"--with-hwloc=%s" % spec['hwloc'].prefix,
"--enable-shared",
"--enable-static"]
# Variant based arguments

45
var/spack/repos/builtin/packages/openssl/package.py
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@@ -3,6 +3,7 @@
from spack import *
class Openssl(Package):
"""The OpenSSL Project is a collaborative effort to develop a
robust, commercial-grade, full-featured, and Open Source
@@ -30,26 +31,14 @@ def url_for_version(self, version):
# 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 self.spec.satisfies('@external'):
# The version @external is reserved to system openssl. In that case return a fake url and exit
openssl_url = '@external (reserved version for system openssl)'
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))
tty.msg('Using openssl@external : the version @external is reserved for system openssl')
warnings_given_to_user[version] = True
else:
openssl_url = latest_url
# Store the computed URL
openssl_url = self.check_for_outdated_release(version, warnings_given_to_user) # Store the computed URL
openssl_urls[version] = openssl_url
# Store the updated dictionary of URLS
Openssl._openssl_url = openssl_urls
@@ -58,6 +47,28 @@ def url_for_version(self, version):
return openssl_url
def check_for_outdated_release(self, version, warnings_given_to_user):
latest = 'ftp://ftp.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]])
try:
openssl_url = latest.format(version=version)
urllib.urlopen(openssl_url)
except IOError:
openssl_url = older.format(version_number=version_number, version_full=version)
# 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
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

38
var/spack/repos/builtin/packages/osu-micro-benchmarks/package.py Normal file
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@@ -0,0 +1,38 @@
from spack import *
class OsuMicroBenchmarks(Package):
"""The Ohio MicroBenchmark suite is a collection of independent MPI
message passing performance microbenchmarks developed and written at
The Ohio State University. It includes traditional benchmarks and
performance measures such as latency, bandwidth and host overhead
and can be used for both traditional and GPU-enhanced nodes."""
homepage = "http://mvapich.cse.ohio-state.edu/benchmarks/"
url = "http://mvapich.cse.ohio-state.edu/download/mvapich/osu-micro-benchmarks-5.3.tar.gz"
version('5.3', '42e22b931d451e8bec31a7424e4adfc2')
variant('cuda', default=False, description="Enable CUDA support")
depends_on('mpi')
depends_on('cuda', when='+cuda')
def install(self, spec, prefix):
config_args = [
'CC=%s' % spec['mpi'].prefix.bin + '/mpicc',
'CXX=%s' % spec['mpi'].prefix.bin + '/mpicxx',
'LDFLAGS=-lrt',
'--prefix=%s' % prefix
]
if '+cuda' in spec:
config_args.extend([
'--enable-cuda',
'--with-cuda=%s' % spec['cuda'].prefix,
])
configure(*config_args)
make()
make('install')

13
var/spack/repos/builtin/packages/p4est/package.py
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@@ -7,10 +7,15 @@ class P4est(Package):
version('1.1', '37ba7f4410958cfb38a2140339dbf64f')
# disable by default to make it work on frontend of clusters
variant('tests', default=False, description='Run small tests')
# build dependencies
depends_on('automake')
depends_on('autoconf')
depends_on('libtool@2.4.2:')
# other dependencies
depends_on('lua') # Needed for the submodule sc
depends_on('mpi')
depends_on('zlib')
def install(self, spec, prefix):
options = ['--enable-mpi',
@@ -28,7 +33,5 @@ def install(self, spec, prefix):
configure('--prefix=%s' % prefix, *options)
make()
if '+tests' in self.spec:
make("check")
make("check")
make("install")

31
var/spack/repos/builtin/packages/papi/package.py
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@@ -1,5 +1,8 @@
from spack import *
import glob
import os
import sys
from llnl.util.filesystem import fix_darwin_install_name
class Papi(Package):
"""PAPI provides the tool designer and application engineer with a
@@ -18,17 +21,27 @@ class Papi(Package):
version('5.3.0', '367961dd0ab426e5ae367c2713924ffb')
def install(self, spec, prefix):
os.chdir("src/")
with working_dir("src"):
configure_args=["--prefix=%s" % prefix]
configure_args=["--prefix=%s" % prefix]
# PAPI uses MPI if MPI is present; since we don't require an
# MPI package, we ensure that all attempts to use MPI fail, so
# that PAPI does not get confused
configure_args.append('MPICC=:')
# PAPI uses MPI if MPI is present; since we don't require
# an MPI package, we ensure that all attempts to use MPI
# fail, so that PAPI does not get confused
configure_args.append('MPICC=:')
configure(*configure_args)
configure(*configure_args)
make()
make("install")
# Don't use <malloc.h>
for level in [".", "*", "*/*"]:
files = glob.iglob(join_path(level, "*.[ch]"))
filter_file(r"\<malloc\.h\>", "<stdlib.h>", *files)
make()
make("install")
# The shared library is not installed correctly on Darwin
if sys.platform == 'darwin':
os.rename(join_path(prefix.lib, 'libpapi.so'),
join_path(prefix.lib, 'libpapi.dylib'))
fix_darwin_install_name(prefix.lib)

14
var/spack/repos/builtin/packages/paradiseo/enable_eoserial.patch Normal file
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@@ -0,0 +1,14 @@
diff --git a/eo/src/CMakeLists.txt b/eo/src/CMakeLists.txt
index b2b445a..d45ddc7 100644
--- a/eo/src/CMakeLists.txt
+++ b/eo/src/CMakeLists.txt
@@ -47,7 +47,7 @@ install(DIRECTORY do es ga gp other utils
add_subdirectory(es)
add_subdirectory(ga)
add_subdirectory(utils)
-#add_subdirectory(serial)
+add_subdirectory(serial) # Required when including <paradiseo/eo/utils/eoTimer.h> , which is need by <paradiseo/eo/mpi/eoMpi.h>
if(ENABLE_PYEO)
add_subdirectory(pyeo)

13
var/spack/repos/builtin/packages/paradiseo/fix_osx_detection.patch Normal file
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@@ -0,0 +1,13 @@
diff --git a/cmake/Config.cmake b/cmake/Config.cmake
index 02593ba..d198ca9 100644
--- a/cmake/Config.cmake
+++ b/cmake/Config.cmake
@@ -6,7 +6,7 @@ if(${CMAKE_SYSTEM_NAME} MATCHES "Darwin")
# detect OS X version. (use '/usr/bin/sw_vers -productVersion' to extract V from '10.V.x'.)
execute_process (COMMAND /usr/bin/sw_vers -productVersion OUTPUT_VARIABLE MACOSX_VERSION_RAW)
- string(REGEX REPLACE "10\\.([0-9]).*" "\\1" MACOSX_VERSION "${MACOSX_VERSION_RAW}")
+ string(REGEX REPLACE "10\\.([0-9]+).*" "\\1" MACOSX_VERSION "${MACOSX_VERSION_RAW}")
if(${MACOSX_VERSION} LESS 5)
message(FATAL_ERROR "Unsupported version of OS X : ${MACOSX_VERSION_RAW}")
return()

13
var/spack/repos/builtin/packages/paradiseo/fix_tests.patch Normal file
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@@ -0,0 +1,13 @@
diff --git a/moeo/test/t-moeo2DMinHypervolumeArchive.cpp b/moeo/test/t-moeo2DMinHypervolumeArchive.cpp
index 994a9a4..c4ba77b 100644
--- a/moeo/test/t-moeo2DMinHypervolumeArchive.cpp
+++ b/moeo/test/t-moeo2DMinHypervolumeArchive.cpp
@@ -41,7 +41,7 @@
#include <moeo>
#include <cassert>
-#include<archive/moeo2DMinHyperVolumeArchive.h>
+#include<archive/moeo2DMinHypervolumeArchive.h>
//-----------------------------------------------------------------------------

13
var/spack/repos/builtin/packages/paradiseo/fix_tutorials.patch Normal file
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@@ -0,0 +1,13 @@
diff --git a/eo/tutorial/Lesson3/exercise3.1.cpp b/eo/tutorial/Lesson3/exercise3.1.cpp
index dc37479..d178941 100644
--- a/eo/tutorial/Lesson3/exercise3.1.cpp
+++ b/eo/tutorial/Lesson3/exercise3.1.cpp
@@ -289,7 +289,7 @@ void main_function(int argc, char **argv)
checkpoint.add(fdcStat);
// The Stdout monitor will print parameters to the screen ...
- eoStdoutMonitor monitor(false);
+ eoStdoutMonitor monitor;
// when called by the checkpoint (i.e. at every generation)
checkpoint.add(monitor);

59
var/spack/repos/builtin/packages/paradiseo/package.py Normal file
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@@ -0,0 +1,59 @@
from spack import *
import sys
class Paradiseo(Package):
"""A C++ white-box object-oriented framework dedicated to the reusable design of metaheuristics."""
homepage = "http://paradiseo.gforge.inria.fr/"
# Installing from the development version is a better option at this
# point than using the very old supplied packages
version('head', git='https://gforge.inria.fr/git/paradiseo/paradiseo.git')
# This is a version that the package formula author has tested successfully.
# However, the clone is very large (~1Gb git history). The history in the
# head version has been trimmed significantly.
version('dev-safe', git='https://gforge.inria.fr/git/paradiseo/paradiseo.git',
commit='dbb8fbe9a786efd4d1c26408ac1883442e7643a6')
variant('mpi', default=True, description='Compile with parallel and distributed metaheuristics module')
variant('smp', default=True, description='Compile with symmetric multi-processing module ')
variant('edo', default=True, description='Compile with (Experimental) EDO module')
#variant('tests', default=False, description='Compile with build tests')
#variant('doc', default=False, description='Compile with documentation')
variant('debug', default=False, description='Builds a debug version of the libraries')
# Required dependencies
depends_on ("cmake")
depends_on ("eigen")
# Optional dependencies
depends_on ("mpi", when="+mpi")
depends_on ("doxygen", when='+doc')
# Patches
patch('enable_eoserial.patch')
patch('fix_osx_detection.patch')
patch('fix_tests.patch')
patch('fix_tutorials.patch')
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'),
'-DINSTALL_TYPE:STRING=MIN',
'-DMPI:BOOL=%s' % ('TRUE' if '+mpi' in spec else 'FALSE'),
'-DSMP:BOOL=%s' % ('TRUE' if '+smp' in spec else 'FALSE'), # Note: This requires a C++11 compatible compiler
'-DEDO:BOOL=%s' % ('TRUE' if '+edo' in spec else 'FALSE'),
'-DENABLE_CMAKE_TESTING:BOOL=%s' % ('TRUE' if '+tests' in spec else 'FALSE')
])
with working_dir('spack-build', create=True):
# Configure
cmake('..', *options)
# Build, test and install
make("VERBOSE=1")
if '+tests' in spec:
make("test")
make("install")

1
var/spack/repos/builtin/packages/parallel-netcdf/package.py
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@@ -8,6 +8,7 @@ class ParallelNetcdf(Package):
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('1.7.0', '267eab7b6f9dc78c4d0e6def2def3aea4bc7c9f0')
version('1.6.1', '62a094eb952f9d1e15f07d56e535052604f1ac34')
depends_on("m4")

21
var/spack/repos/builtin/packages/paraview/package.py
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@@ -27,13 +27,14 @@ class Paraview(Package):
depends_on('bzip2')
depends_on('freetype')
depends_on('hdf5+mpi', when='+mpi')
depends_on('hdf5~mpi', when='~mpi')
#depends_on('hdf5+mpi', when='+mpi')
#depends_on('hdf5~mpi', when='~mpi')
depends_on('jpeg')
depends_on('libpng')
depends_on('libtiff')
depends_on('libxml2')
depends_on('netcdf')
#depends_on('netcdf')
#depends_on('netcdf-cxx')
#depends_on('protobuf') # version mismatches?
#depends_on('sqlite') # external version not supported
depends_on('zlib')
@@ -75,13 +76,13 @@ def nfeature_to_bool(feature):
cmake('..',
'-DCMAKE_INSTALL_PREFIX:PATH=%s' % prefix,
'-DBUILD_TESTING:BOOL=OFF',
'-DVTK_USER_SYSTEM_FREETYPE:BOOL=ON',
'-DVTK_USER_SYSTEM_HDF5:BOOL=ON',
'-DVTK_USER_SYSTEM_JPEG:BOOL=ON',
'-DVTK_USER_SYSTEM_LIBXML2:BOOL=ON',
'-DVTK_USER_SYSTEM_NETCDF:BOOL=ON',
'-DVTK_USER_SYSTEM_TIFF:BOOL=ON',
'-DVTK_USER_SYSTEM_ZLIB:BOOL=ON',
'-DVTK_USE_SYSTEM_FREETYPE:BOOL=ON',
'-DVTK_USE_SYSTEM_HDF5:BOOL=OFF',
'-DVTK_USE_SYSTEM_JPEG:BOOL=ON',
'-DVTK_USE_SYSTEM_LIBXML2:BOOL=ON',
'-DVTK_USE_SYSTEM_NETCDF:BOOL=OFF',
'-DVTK_USE_SYSTEM_TIFF:BOOL=ON',
'-DVTK_USE_SYSTEM_ZLIB:BOOL=ON',
*feature_args)
make()
make('install')

7
var/spack/repos/builtin/packages/pkg-config/package.py
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@@ -10,7 +10,12 @@ class PkgConfig(Package):
parallel = False
def install(self, spec, prefix):
configure("--prefix=%s" %prefix, "--enable-shared")
configure("--prefix=%s" %prefix,
"--enable-shared",
"--with-internal-glib") # There's a bootstrapping problem here;
# glib uses pkg-config as well, so
# break the cycle by using the internal
# glib.
make()
make("install")

14
var/spack/repos/builtin/packages/py-SQLAlchemy/package.py Normal file
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@@ -0,0 +1,14 @@
from spack import *
class PySqlalchemy(Package):
"""The Python SQL Toolkit and Object Relational Mapper"""
homepage = 'http://www.sqlalchemy.org/'
url = "https://pypi.python.org/packages/source/S/SQLAlchemy/SQLAlchemy-1.0.12.tar.gz"
version('1.0.12', '6d19ef29883bbebdcac6613cf391cac4')
extends('python')
def install(self, spec, prefix):
python('setup.py', 'install', '--prefix=%s' % prefix)

2
var/spack/repos/builtin/packages/py-bottleneck/package.py
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@@ -7,7 +7,7 @@ class PyBottleneck(Package):
version('1.0.0', '380fa6f275bd24f27e7cf0e0d752f5d2')
extends('python', ignore=r'bin/f2py$')
extends('python')
depends_on('py-numpy')
def install(self, spec, prefix):

22
var/spack/repos/builtin/packages/py-csvkit/package.py Normal file
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@@ -0,0 +1,22 @@
from spack import *
class PyCsvkit(Package):
"""A library of utilities for working with CSV, the king of tabular file
formats"""
homepage = 'http://csvkit.rtfd.org/'
url = "https://pypi.python.org/packages/source/c/csvkit/csvkit-0.9.1.tar.gz"
version('0.9.1', '48d78920019d18846933ee969502fff6')
extends('python')
depends_on('py-dateutil')
depends_on('py-dbf')
depends_on('py-xlrd')
depends_on('py-SQLAlchemy')
depends_on('py-six')
depends_on('py-openpyxl')
def install(self, spec, prefix):
python('setup.py', 'install', '--prefix=%s' % prefix)

15
var/spack/repos/builtin/packages/py-dbf/package.py Normal file
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@@ -0,0 +1,15 @@
from spack import *
class PyDbf(Package):
"""Pure python package for reading/writing dBase, FoxPro, and Visual FoxPro
.dbf files (including memos)"""
homepage = 'https://pypi.python.org/pypi/dbf'
url = "https://pypi.python.org/packages/source/d/dbf/dbf-0.96.005.tar.gz"
version('0.96.005', 'bce1a1ed8b454a30606e7e18dd2f8277')
extends('python')
def install(self, spec, prefix):
python('setup.py', 'install', '--prefix=%s' % prefix)

14
var/spack/repos/builtin/packages/py-jdcal/package.py Normal file
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@@ -0,0 +1,14 @@
from spack import *
class PyJdcal(Package):
"""Julian dates from proleptic Gregorian and Julian calendars"""
homepage = 'http://github.com/phn/jdcal'
url = "https://pypi.python.org/packages/source/j/jdcal/jdcal-1.2.tar.gz"
version('1.2', 'ab8d5ba300fd1eb01514f363d19b1eb9')
extends('python')
def install(self, spec, prefix):
python('setup.py', 'install', '--prefix=%s' % prefix)

3
var/spack/repos/builtin/packages/py-matplotlib/package.py
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@@ -12,7 +12,7 @@ class PyMatplotlib(Package):
variant('gui', default=False, description='Enable GUI')
variant('ipython', default=False, description='Enable ipython support')
extends('python', ignore=r'bin/nosetests.*$|bin/pbr$|bin/f2py$')
extends('python', ignore=r'bin/nosetests.*$|bin/pbr$')
depends_on('py-pyside', when='+gui')
depends_on('py-ipython', when='+ipython')
@@ -26,6 +26,7 @@ class PyMatplotlib(Package):
depends_on('py-pbr')
depends_on('py-funcsigs')
depends_on('pkg-config')
depends_on('freetype')
depends_on('qt', when='+gui')
depends_on('bzip2')

2
var/spack/repos/builtin/packages/py-numexpr/package.py
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@@ -9,7 +9,7 @@ class PyNumexpr(Package):
version('2.4.6', '17ac6fafc9ea1ce3eb970b9abccb4fbd')
version('2.5', '84f66cced45ba3e30dcf77a937763aaa')
extends('python', ignore=r'bin/f2py$')
extends('python')
depends_on('py-numpy')
def install(self, spec, prefix):

17
var/spack/repos/builtin/packages/py-openpyxl/package.py Normal file
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@@ -0,0 +1,17 @@
from spack import *
class PyOpenpyxl(Package):
"""A Python library to read/write Excel 2007 xlsx/xlsm files"""
homepage = 'http://openpyxl.readthedocs.org/'
url = "https://pypi.python.org/packages/source/o/openpyxl/openpyxl-2.4.0-a1.tar.gz"
version('2.4.0-a1', 'e5ca6d23ceccb15115d45cdf26e736fc')
extends('python')
depends_on('py-jdcal')
depends_on('py-setuptools')
def install(self, spec, prefix):
python('setup.py', 'install', '--prefix=%s' % prefix)

2
var/spack/repos/builtin/packages/py-pandas/package.py
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@@ -10,7 +10,7 @@ class PyPandas(Package):
version('0.16.1', 'fac4f25748f9610a3e00e765474bdea8')
version('0.18.0', 'f143762cd7a59815e348adf4308d2cf6')
extends('python', ignore=r'bin/f2py$')
extends('python')
depends_on('py-dateutil')
depends_on('py-numpy')
depends_on('py-setuptools')

2
var/spack/repos/builtin/packages/py-scikit-image/package.py
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@@ -7,7 +7,7 @@ class PyScikitImage(Package):
version('0.12.3', '04ea833383e0b6ad5f65da21292c25e1')
extends('python', ignore=r'bin/.*\.py$|bin/f2py$')
extends('python', ignore=r'bin/.*\.py$')
depends_on('py-dask')
depends_on('py-pillow')

10
var/spack/repos/builtin/packages/py-setuptools/package.py
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@@ -5,11 +5,13 @@ class PySetuptools(Package):
homepage = "https://pypi.python.org/pypi/setuptools"
url = "https://pypi.python.org/packages/source/s/setuptools/setuptools-11.3.tar.gz"
version('11.3.1', '01f69212e019a2420c1693fb43593930')
version('16.0', '0ace0b96233516fc5f7c857d086aa3ad')
version('18.1', 'f72e87f34fbf07f299f6cb46256a0b06')
version('19.2', '78353b1f80375ca5e088f4b4627ffe03')
version('20.7.0', '5d12b39bf3e75e80fdce54e44b255615')
version('20.6.7', '45d6110f3ec14924e44c33411db64fe6')
version('20.5', 'fadc1e1123ddbe31006e5e43e927362b')
version('19.2', '78353b1f80375ca5e088f4b4627ffe03')
version('18.1', 'f72e87f34fbf07f299f6cb46256a0b06')
version('16.0', '0ace0b96233516fc5f7c857d086aa3ad')
version('11.3.1', '01f69212e019a2420c1693fb43593930')
extends('python')

15
var/spack/repos/builtin/packages/py-xlrd/package.py Normal file
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@@ -0,0 +1,15 @@
from spack import *
class PyXlrd(Package):
"""Library for developers to extract data from Microsoft Excel (tm)
spreadsheet files"""
homepage = 'http://www.python-excel.org/'
url = "https://pypi.python.org/packages/source/x/xlrd/xlrd-0.9.4.tar.gz"
version('0.9.4', '911839f534d29fe04525ef8cd88fe865')
extends('python')
def install(self, spec, prefix):
python('setup.py', 'install', '--prefix=%s' % prefix)

2
var/spack/repos/builtin/packages/python/package.py
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@@ -151,6 +151,8 @@ def python_ignore(self, ext_pkg, args):
patterns.append(r'setuptools\.pth')
patterns.append(r'bin/easy_install[^/]*$')
patterns.append(r'setuptools.*egg$')
if ext_pkg.name != 'py-numpy':
patterns.append(r'bin/f2py$')
return match_predicate(ignore_arg, patterns)

5
var/spack/repos/builtin/packages/qt/package.py
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@@ -29,7 +29,8 @@ class Qt(Package):
depends_on("zlib")
depends_on("dbus", when='@4:')
depends_on("libtiff")
depends_on("libpng")
depends_on("libpng@1.2.56", when='@3')
depends_on("libpng", when='@4:')
depends_on("libmng")
depends_on("jpeg")
@@ -120,6 +121,8 @@ def common_config_args(self):
@when('@3')
def configure(self):
# An user report that this was necessary to link Qt3 on ubuntu
os.environ['LD_LIBRARY_PATH'] = os.getcwd()+'/lib'
configure('-prefix', self.prefix,
'-v',
'-thread',

14
var/spack/repos/builtin/packages/swig/package.py
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@@ -22,6 +22,7 @@
# along with this program; if not, write to the Free Software Foundation,
# Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA
##############################################################################
from spack import *
class Swig(Package):
@@ -33,14 +34,19 @@ class Swig(Package):
code. In addition, SWIG provides a variety of customization
features that let you tailor the wrapping process to suit your
application."""
homepage = "http://www.swig.org"
url = "http://prdownloads.sourceforge.net/swig/swig-3.0.2.tar.gz"
homepage = "http://www.swig.org"
url = "http://prdownloads.sourceforge.net/swig/swig-3.0.8.tar.gz"
version('3.0.8', 'c96a1d5ecb13d38604d7e92148c73c97')
version('3.0.2', '62f9b0d010cef36a13a010dc530d0d41')
version('2.0.12', 'c3fb0b2d710cc82ed0154b91e43085a4')
version('2.0.2', 'eaf619a4169886923e5f828349504a29')
version('1.3.40', '2df766c9e03e02811b1ab4bba1c7b9cc')
depends_on('pcre')
def install(self, spec, prefix):
configure("--prefix=%s" % prefix)
configure('--prefix=%s' % prefix)
make()
make("install")
make('install')

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@@ -0,0 +1,124 @@
from spack import *
import os
import subprocess
class Turbomole(Package):
"""TURBOMOLE: Program Package for ab initio Electronic Structure
Calculations. NB: Requires a license to download."""
# NOTE: Turbomole requires purchase of a license to download. Go to the
# NOTE: Turbomole home page, http://www.turbomole-gmbh.com, for details.
# NOTE: Spack will search the current directory for this file. It is
# NOTE: probably best to add this file to a Spack mirror so that it can be
# NOTE: found from anywhere. For information on setting up a Spack mirror
# NOTE: see http://software.llnl.gov/spack/mirrors.html
homepage = "http://www.turbomole-gmbh.com/"
version('7.0.2', '92b97e1e52e8dcf02a4d9ac0147c09d6',
url="file://%s/turbolinux702.tar.gz" % os.getcwd())
variant('mpi', default=False, description='Set up MPI environment')
variant('smp', default=False, description='Set up SMP environment')
# Turbomole's install is odd. There are three variants
# - serial
# - parallel, MPI
# - parallel, SMP
#
# Only one of these can be active at a time. MPI and SMP are set as
# variants so there could be up to 3 installs per version. Switching
# between them would be accomplished with `module swap` commands.
def do_fetch(self, mirror_only=True):
if '+mpi' in self.spec and '+smp' in self.spec:
raise InstallError('Can not have both SMP and MPI enabled in the same build.')
super(Turbomole, self).do_fetch(mirror_only)
def get_tm_arch(self):
# For python-2.7 we could use `tm_arch = subprocess.check_output()`
# Use the following for compatibility with python 2.6
if 'TURBOMOLE' in os.getcwd():
tm_arch = subprocess.Popen(['sh', 'scripts/sysname'],
stdout=subprocess.PIPE).communicate()[0]
return tm_arch.rstrip('\n')
else:
return
def install(self, spec, prefix):
if spec.satisfies('@:7.0.2'):
calculate_version = 'calculate_2.4_linux64'
molecontrol_version = 'MoleControl_2.5'
tm_arch=self.get_tm_arch()
tar = which('tar')
dst = join_path(prefix, 'TURBOMOLE')
tar('-x', '-z', '-f', 'thermocalc.tar.gz')
with working_dir('thermocalc'):
cmd = 'sh install <<<y'
subprocess.call(cmd, shell=True)
install_tree('basen', join_path(dst, 'basen'))
install_tree('cabasen', join_path(dst, 'cabasen'))
install_tree(calculate_version, join_path(dst, calculate_version))
install_tree('cbasen', join_path(dst, 'cbasen'))
install_tree('DOC', join_path(dst, 'DOC'))
install_tree('jbasen', join_path(dst, 'jbasen'))
install_tree('jkbasen', join_path(dst, 'jkbasen'))
install_tree(molecontrol_version, join_path(dst, molecontrol_version))
install_tree('parameter', join_path(dst, 'parameter'))
install_tree('perlmodules', join_path(dst, 'perlmodules'))
install_tree('scripts', join_path(dst, 'scripts'))
install_tree('smprun_scripts', join_path(dst, 'smprun_scripts'))
install_tree('structures', join_path(dst, 'structures'))
install_tree('thermocalc', join_path(dst, 'thermocalc'))
install_tree('TURBOTEST', join_path(dst, 'TURBOTEST'))
install_tree('xbasen', join_path(dst, 'xbasen'))
install('Config_turbo_env', dst)
install('Config_turbo_env.tcsh', dst)
install('README', dst)
install('README_LICENSES', dst)
install('TURBOMOLE_702_LinuxPC', dst)
if '+mpi' in spec:
install_tree('bin/%s_mpi' % tm_arch, join_path(dst, 'bin', '%s_mpi' % tm_arch))
install_tree('libso/%s_mpi' % tm_arch, join_path(dst, 'libso', '%s_mpi' % tm_arch))
install_tree('mpirun_scripts/%s_mpi' % tm_arch, join_path(dst, 'mpirun_scripts', '%s_mpi' % tm_arch))
elif '+smp' in spec:
install_tree('bin/%s_smp' % tm_arch, join_path(dst, 'bin', '%s_smp' % tm_arch))
install_tree('libso/%s_smp' % tm_arch, join_path(dst, 'libso', '%s_smp' % tm_arch))
install_tree('mpirun_scripts/%s_smp' % tm_arch, join_path(dst, 'mpirun_scripts', '%s_smp' % tm_arch))
else:
install_tree('bin/%s' % tm_arch, join_path(dst, 'bin', tm_arch))
if '+mpi' in spec or '+smp' in spec:
install('mpirun_scripts/ccsdf12', join_path(dst, 'mpirun_scripts'))
install('mpirun_scripts/dscf', join_path(dst, 'mpirun_scripts'))
install('mpirun_scripts/grad', join_path(dst, 'mpirun_scripts'))
install('mpirun_scripts/mpgrad', join_path(dst, 'mpirun_scripts'))
install('mpirun_scripts/pnoccsd', join_path(dst, 'mpirun_scripts'))
install('mpirun_scripts/rdgrad', join_path(dst, 'mpirun_scripts'))
install('mpirun_scripts/ricc2', join_path(dst, 'mpirun_scripts'))
install('mpirun_scripts/ridft', join_path(dst, 'mpirun_scripts'))
def setup_environment(self, spack_env, run_env):
if self.spec.satisfies('@:7.0.2'):
molecontrol_version = 'MoleControl_2.5'
tm_arch=self.get_tm_arch()
run_env.set('TURBODIR', join_path(self.prefix, 'TURBOMOLE'))
run_env.set('MOLE_CONTROL', join_path(self.prefix, 'TURBOMOLE', molecontrol_version))
run_env.prepend_path('PATH', join_path(self.prefix, 'TURBOMOLE', 'thermocalc'))
run_env.prepend_path('PATH', join_path(self.prefix, 'TURBOMOLE', 'scripts'))
if '+mpi' in self.spec:
run_env.set('PARA_ARCH', 'MPI')
run_env.prepend_path('PATH', join_path(self.prefix, 'TURBOMOLE', 'bin', '%s_mpi' % tm_arch))
elif '+smp' in self.spec:
run_env.set('PARA_ARCH', 'SMP')
run_env.prepend_path('PATH', join_path(self.prefix, 'TURBOMOLE', 'bin', '%s_smp' % tm_arch))
else:
run_env.prepend_path('PATH', join_path(self.prefix, 'TURBOMOLE', 'bin', tm_arch))

4
var/spack/repos/builtin/packages/wget/package.py
View File

@@ -17,6 +17,8 @@ class Wget(Package):
def install(self, spec, prefix):
configure("--prefix=%s" % prefix,
"--with-ssl=openssl")
"--with-ssl=openssl",
"OPENSSL_CFLAGS=-I%s" % spec['openssl'].prefix.include,
"OPENSSL_LIBS=-L%s -lssl -lcrypto -lz" % spec['openssl'].prefix.lib)
make()
make("install")

4
var/spack/repos/builtin/packages/xerces-c/package.py
View File

@@ -24,8 +24,8 @@ class XercesC(Package):
"""
homepage = "https://xerces.apache.org/xerces-c"
url = "https://www.apache.org/dist/xerces/c/3/sources/xerces-c-3.1.2.tar.gz"
version('3.1.2', '9eb1048939e88d6a7232c67569b23985')
url = "https://www.apache.org/dist/xerces/c/3/sources/xerces-c-3.1.3.tar.bz2"
version('3.1.3', '5e333b55cb43e6b025ddf0e5d0f0fb0d')
def install(self, spec, prefix):
configure("--prefix=%s" % prefix,

35
var/spack/repos/builtin/packages/zoltan/package.py
View File

@@ -1,3 +1,4 @@
import re, os, glob
from spack import *
class Zoltan(Package):
@@ -12,8 +13,13 @@ class Zoltan(Package):
base_url = "http://www.cs.sandia.gov/~kddevin/Zoltan_Distributions"
version('3.83', '1ff1bc93f91e12f2c533ddb01f2c095f')
version('3.8', '9d8fba8a990896881b85351d4327c4a9')
version('3.6', '9cce794f7241ecd8dbea36c3d7a880f9')
version('3.3', '5eb8f00bda634b25ceefa0122bd18d65')
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('fortran', default=True, description='Enable Fortran support')
variant('mpi', default=False, description='Enable MPI support')
@@ -24,28 +30,49 @@ def install(self, spec, prefix):
'--enable-f90interface' if '+fortan' in spec else '--disable-f90interface',
'--enable-mpi' if '+mpi' in spec else '--disable-mpi',
]
config_cflags = [
'-O0' if '+debug' in spec else '-O3',
'-g' if '+debug' in spec else '-g0',
]
if '+shared' in spec:
config_args.append('--with-ar=$(CXX) -shared $(LDFLAGS) -o')
config_args.append('RANLIB=echo')
config_cflags.append('-fPIC')
if '+mpi' in spec:
config_args.append('--with-mpi=%s' % spec['mpi'].prefix)
config_args.append('--with-mpi-compilers=%s' % spec['mpi'].prefix.bin)
config_args.append('CC=%s/mpicc' % spec['mpi'].prefix.bin)
config_args.append('CXX=%s/mpicxx' % spec['mpi'].prefix.bin)
config_args.append('--with-mpi=%s' % spec['mpi'].prefix)
config_args.append('--with-mpi-compilers=%s' % spec['mpi'].prefix.bin)
# NOTE: Early versions of Zoltan come packaged with a few embedded
# library packages (e.g. ParMETIS, Scotch), which messes with Spack's
# ability to descend directly into the package's source directory.
if spec.satisfies('@:3.3'):
if spec.satisfies('@:3.6'):
cd('Zoltan_v%s' % self.version)
mkdirp('build')
cd('build')
config_zoltan = Executable('../configure')
config_zoltan('--prefix=%s' % pwd(), *config_args)
config_zoltan(
'--prefix=%s' % pwd(),
'--with-cflags=%s' % ' '.join(config_cflags),
'--with-cxxflags=%s' % ' '.join(config_cflags),
*config_args)
make()
make('install')
# NOTE: Unfortunately, Zoltan doesn't provide any configuration options for
# the extension of the output library files, so this script must change these
# extensions as a post-processing step.
if '+shared' in spec:
for libpath in glob.glob('lib/*.a'):
libdir, libname = (os.path.dirname(libpath), os.path.basename(libpath))
move(libpath, os.path.join(libdir, re.sub(r'\.a$', '.so', libname)))
mkdirp(prefix)
move('include', prefix)
move('lib', prefix)