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author | Massimiliano Culpo <massimiliano.culpo@googlemail.com> | 2016-05-02 18:26:05 +0200 |
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committer | Massimiliano Culpo <massimiliano.culpo@googlemail.com> | 2016-05-02 18:26:05 +0200 |
commit | cfc25d0a927f47018a29668bbcdcc335ae04ffdb (patch) | |
tree | ab696efbd1cf91ac139ffa286e213cd2b453079c /var/spack/repos | |
parent | 6cffac79bd39443047d380eb46121a43a256737e (diff) | |
parent | 6dad59cb9246a6740df708cb356cfed35a66aa87 (diff) | |
download | spack-cfc25d0a927f47018a29668bbcdcc335ae04ffdb.tar.gz spack-cfc25d0a927f47018a29668bbcdcc335ae04ffdb.tar.bz2 spack-cfc25d0a927f47018a29668bbcdcc335ae04ffdb.tar.xz spack-cfc25d0a927f47018a29668bbcdcc335ae04ffdb.zip |
Merge branch 'develop' into openmpi_variants
Diffstat (limited to 'var/spack/repos')
59 files changed, 1286 insertions, 128 deletions
diff --git a/var/spack/repos/builtin/packages/astyle/package.py b/var/spack/repos/builtin/packages/astyle/package.py index 7260fd74a1..5274fc018f 100644 --- a/var/spack/repos/builtin/packages/astyle/package.py +++ b/var/spack/repos/builtin/packages/astyle/package.py @@ -14,4 +14,5 @@ class Astyle(Package): 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) diff --git a/var/spack/repos/builtin/packages/binutils/package.py b/var/spack/repos/builtin/packages/binutils/package.py index 897539a439..b8064093d2 100644 --- a/var/spack/repos/builtin/packages/binutils/package.py +++ b/var/spack/repos/builtin/packages/binutils/package.py @@ -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") diff --git a/var/spack/repos/builtin/packages/cereal/package.py b/var/spack/repos/builtin/packages/cereal/package.py index a83927456f..6acbf666c8 100644 --- a/var/spack/repos/builtin/packages/cereal/package.py +++ b/var/spack/repos/builtin/packages/cereal/package.py @@ -1,4 +1,5 @@ from spack import * +import os import shutil class Cereal(Package): @@ -30,5 +31,8 @@ class Cereal(Package): # 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')) diff --git a/var/spack/repos/builtin/packages/cmake/package.py b/var/spack/repos/builtin/packages/cmake/package.py index 91a4e3b415..2493cf0a13 100644 --- a/var/spack/repos/builtin/packages/cmake/package.py +++ b/var/spack/repos/builtin/packages/cmake/package.py @@ -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') diff --git a/var/spack/repos/builtin/packages/dealii/package.py b/var/spack/repos/builtin/packages/dealii/package.py index b251d50ca1..674fe3150a 100644 --- a/var/spack/repos/builtin/packages/dealii/package.py +++ b/var/spack/repos/builtin/packages/dealii/package.py @@ -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 @@ class Dealii(Package): cmake('.') make('release') make('run',parallel=False) + + def setup_environment(self, spack_env, env): + env.set('DEAL_II_DIR', self.prefix) diff --git a/var/spack/repos/builtin/packages/dia/package.py b/var/spack/repos/builtin/packages/dia/package.py index 1cb5910e46..25d5f08205 100644 --- a/var/spack/repos/builtin/packages/dia/package.py +++ b/var/spack/repos/builtin/packages/dia/package.py @@ -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. diff --git a/var/spack/repos/builtin/packages/eigen/package.py b/var/spack/repos/builtin/packages/eigen/package.py index 1501989812..6b38ab0261 100644 --- a/var/spack/repos/builtin/packages/eigen/package.py +++ b/var/spack/repos/builtin/packages/eigen/package.py @@ -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') diff --git a/var/spack/repos/builtin/packages/elk/package.py b/var/spack/repos/builtin/packages/elk/package.py new file mode 100644 index 0000000000..1d9216fd1a --- /dev/null +++ b/var/spack/repos/builtin/packages/elk/package.py @@ -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')) + diff --git a/var/spack/repos/builtin/packages/git/package.py b/var/spack/repos/builtin/packages/git/package.py index 388f84aefd..77521fd658 100644 --- a/var/spack/repos/builtin/packages/git/package.py +++ b/var/spack/repos/builtin/packages/git/package.py @@ -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 @@ class Git(Package): "--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") - - - - - - - diff --git a/var/spack/repos/builtin/packages/gmp/package.py b/var/spack/repos/builtin/packages/gmp/package.py index fe13de3b95..85e9c237d6 100644 --- a/var/spack/repos/builtin/packages/gmp/package.py +++ b/var/spack/repos/builtin/packages/gmp/package.py @@ -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() diff --git a/var/spack/repos/builtin/packages/hdf5/package.py b/var/spack/repos/builtin/packages/hdf5/package.py index f26e225b83..470969832f 100644 --- a/var/spack/repos/builtin/packages/hdf5/package.py +++ b/var/spack/repos/builtin/packages/hdf5/package.py @@ -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 @@ class Hdf5(Package): 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 diff --git a/var/spack/repos/builtin/packages/hydra/package.py b/var/spack/repos/builtin/packages/hydra/package.py new file mode 100644 index 0000000000..c1b8868276 --- /dev/null +++ b/var/spack/repos/builtin/packages/hydra/package.py @@ -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") diff --git a/var/spack/repos/builtin/packages/intltool/package.py b/var/spack/repos/builtin/packages/intltool/package.py new file mode 100644 index 0000000000..9b3c095378 --- /dev/null +++ b/var/spack/repos/builtin/packages/intltool/package.py @@ -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') diff --git a/var/spack/repos/builtin/packages/ior/package.py b/var/spack/repos/builtin/packages/ior/package.py new file mode 100644 index 0000000000..c46650a674 --- /dev/null +++ b/var/spack/repos/builtin/packages/ior/package.py @@ -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') diff --git a/var/spack/repos/builtin/packages/jemalloc/package.py b/var/spack/repos/builtin/packages/jemalloc/package.py index 8cec9ea75b..9cb0fd1f40 100644 --- a/var/spack/repos/builtin/packages/jemalloc/package.py +++ b/var/spack/repos/builtin/packages/jemalloc/package.py @@ -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 @@ class Jemalloc(Package): configure(*configure_args) + # Don't use -Werror + filter_file(r'-Werror=\S*', '', 'Makefile') + make() make("install") diff --git a/var/spack/repos/builtin/packages/julia/openblas.patch b/var/spack/repos/builtin/packages/julia/openblas.patch new file mode 100644 index 0000000000..f75d7dd04f --- /dev/null +++ b/var/spack/repos/builtin/packages/julia/openblas.patch @@ -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; ++ diff --git a/var/spack/repos/builtin/packages/julia/package.py b/var/spack/repos/builtin/packages/julia/package.py index 6900af38e4..25d782266b 100644 --- a/var/spack/repos/builtin/packages/julia/package.py +++ b/var/spack/repos/builtin/packages/julia/package.py @@ -4,43 +4,56 @@ import os 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") + + # 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 + # 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", diff --git a/var/spack/repos/builtin/packages/libpng/package.py b/var/spack/repos/builtin/packages/libpng/package.py index 73c8c62341..9d5782896e 100644 --- a/var/spack/repos/builtin/packages/libpng/package.py +++ b/var/spack/repos/builtin/packages/libpng/package.py @@ -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') diff --git a/var/spack/repos/builtin/packages/libxc/package.py b/var/spack/repos/builtin/packages/libxc/package.py new file mode 100644 index 0000000000..010a5918c5 --- /dev/null +++ b/var/spack/repos/builtin/packages/libxc/package.py @@ -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") diff --git a/var/spack/repos/builtin/packages/metis/package.py b/var/spack/repos/builtin/packages/metis/package.py index 41e3ebb429..b05f23a3dc 100644 --- a/var/spack/repos/builtin/packages/metis/package.py +++ b/var/spack/repos/builtin/packages/metis/package.py @@ -136,6 +136,7 @@ class Metis(Package): 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 @@ class Metis(Package): 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) diff --git a/var/spack/repos/builtin/packages/mfem/package.py b/var/spack/repos/builtin/packages/mfem/package.py new file mode 100644 index 0000000000..510e09c4e1 --- /dev/null +++ b/var/spack/repos/builtin/packages/mfem/package.py @@ -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') diff --git a/var/spack/repos/builtin/packages/mrnet/krell-5.0.1.patch b/var/spack/repos/builtin/packages/mrnet/krell-5.0.1.patch new file mode 100644 index 0000000000..53294fbbc6 --- /dev/null +++ b/var/spack/repos/builtin/packages/mrnet/krell-5.0.1.patch @@ -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; } diff --git a/var/spack/repos/builtin/packages/mrnet/package.py b/var/spack/repos/builtin/packages/mrnet/package.py index fed944e45f..a3abb71285 100644 --- a/var/spack/repos/builtin/packages/mrnet/package.py +++ b/var/spack/repos/builtin/packages/mrnet/package.py @@ -3,11 +3,17 @@ from spack import * 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 diff --git a/var/spack/repos/builtin/packages/ncview/package.py b/var/spack/repos/builtin/packages/ncview/package.py new file mode 100644 index 0000000000..1aa13e3f03 --- /dev/null +++ b/var/spack/repos/builtin/packages/ncview/package.py @@ -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") diff --git a/var/spack/repos/builtin/packages/openblas/package.py b/var/spack/repos/builtin/packages/openblas/package.py index 9f13d0690b..f5d656f659 100644 --- a/var/spack/repos/builtin/packages/openblas/package.py +++ b/var/spack/repos/builtin/packages/openblas/package.py @@ -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 @@ class Openblas(Package): 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 @@ class Openblas(Package): 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 @@ class Openblas(Package): 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) diff --git a/var/spack/repos/builtin/packages/openblas/test_cblas_dgemm.c b/var/spack/repos/builtin/packages/openblas/test_cblas_dgemm.c new file mode 100644 index 0000000000..634e99d20b --- /dev/null +++ b/var/spack/repos/builtin/packages/openblas/test_cblas_dgemm.c @@ -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; +} diff --git a/var/spack/repos/builtin/packages/openblas/test_cblas_dgemm.output b/var/spack/repos/builtin/packages/openblas/test_cblas_dgemm.output new file mode 100644 index 0000000000..b8316d7477 --- /dev/null +++ b/var/spack/repos/builtin/packages/openblas/test_cblas_dgemm.output @@ -0,0 +1,9 @@ +11.000000 +-9.000000 +5.000000 +-9.000000 +21.000000 +-1.000000 +5.000000 +-1.000000 +3.000000 diff --git a/var/spack/repos/builtin/packages/openmpi/package.py b/var/spack/repos/builtin/packages/openmpi/package.py index 1b498eb49c..52de026a15 100644 --- a/var/spack/repos/builtin/packages/openmpi/package.py +++ b/var/spack/repos/builtin/packages/openmpi/package.py @@ -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 @@ class Openmpi(Package): def install(self, spec, prefix): config_args = ["--prefix=%s" % prefix, - "--with-hwloc=%s" % spec['hwloc'].prefix, "--enable-shared", "--enable-static"] # Variant based arguments diff --git a/var/spack/repos/builtin/packages/openssl/package.py b/var/spack/repos/builtin/packages/openssl/package.py index 70afaf4038..9e3109bfed 100644 --- a/var/spack/repos/builtin/packages/openssl/package.py +++ b/var/spack/repos/builtin/packages/openssl/package.py @@ -3,6 +3,7 @@ import llnl.util.tty as tty 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 @@ class Openssl(Package): # 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 @@ class Openssl(Package): 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 diff --git a/var/spack/repos/builtin/packages/osu-micro-benchmarks/package.py b/var/spack/repos/builtin/packages/osu-micro-benchmarks/package.py new file mode 100644 index 0000000000..01054471a3 --- /dev/null +++ b/var/spack/repos/builtin/packages/osu-micro-benchmarks/package.py @@ -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') diff --git a/var/spack/repos/builtin/packages/p4est/package.py b/var/spack/repos/builtin/packages/p4est/package.py index 1e2969fe64..017c4e3fbf 100644 --- a/var/spack/repos/builtin/packages/p4est/package.py +++ b/var/spack/repos/builtin/packages/p4est/package.py @@ -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 @@ class P4est(Package): configure('--prefix=%s' % prefix, *options) make() - if '+tests' in self.spec: - make("check") - + make("check") make("install") diff --git a/var/spack/repos/builtin/packages/papi/package.py b/var/spack/repos/builtin/packages/papi/package.py index 53d69e28d9..74b3ea9ef9 100644 --- a/var/spack/repos/builtin/packages/papi/package.py +++ b/var/spack/repos/builtin/packages/papi/package.py @@ -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) diff --git a/var/spack/repos/builtin/packages/paradiseo/enable_eoserial.patch b/var/spack/repos/builtin/packages/paradiseo/enable_eoserial.patch new file mode 100644 index 0000000000..8b3ccfeb84 --- /dev/null +++ b/var/spack/repos/builtin/packages/paradiseo/enable_eoserial.patch @@ -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) +
\ No newline at end of file diff --git a/var/spack/repos/builtin/packages/paradiseo/fix_osx_detection.patch b/var/spack/repos/builtin/packages/paradiseo/fix_osx_detection.patch new file mode 100644 index 0000000000..27b240f673 --- /dev/null +++ b/var/spack/repos/builtin/packages/paradiseo/fix_osx_detection.patch @@ -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() diff --git a/var/spack/repos/builtin/packages/paradiseo/fix_tests.patch b/var/spack/repos/builtin/packages/paradiseo/fix_tests.patch new file mode 100644 index 0000000000..607c5d5262 --- /dev/null +++ b/var/spack/repos/builtin/packages/paradiseo/fix_tests.patch @@ -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> + + //----------------------------------------------------------------------------- + diff --git a/var/spack/repos/builtin/packages/paradiseo/fix_tutorials.patch b/var/spack/repos/builtin/packages/paradiseo/fix_tutorials.patch new file mode 100644 index 0000000000..14cb5fed74 --- /dev/null +++ b/var/spack/repos/builtin/packages/paradiseo/fix_tutorials.patch @@ -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); diff --git a/var/spack/repos/builtin/packages/paradiseo/package.py b/var/spack/repos/builtin/packages/paradiseo/package.py new file mode 100644 index 0000000000..c254234b32 --- /dev/null +++ b/var/spack/repos/builtin/packages/paradiseo/package.py @@ -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") diff --git a/var/spack/repos/builtin/packages/parallel-netcdf/package.py b/var/spack/repos/builtin/packages/parallel-netcdf/package.py index 62a8f7ca0b..e6f8cf026b 100644 --- a/var/spack/repos/builtin/packages/parallel-netcdf/package.py +++ b/var/spack/repos/builtin/packages/parallel-netcdf/package.py @@ -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") diff --git a/var/spack/repos/builtin/packages/paraview/package.py b/var/spack/repos/builtin/packages/paraview/package.py index c16054816c..60f8d3c243 100644 --- a/var/spack/repos/builtin/packages/paraview/package.py +++ b/var/spack/repos/builtin/packages/paraview/package.py @@ -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 @@ class Paraview(Package): 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') diff --git a/var/spack/repos/builtin/packages/pkg-config/package.py b/var/spack/repos/builtin/packages/pkg-config/package.py index 9964c6ce34..a803bc3f9b 100644 --- a/var/spack/repos/builtin/packages/pkg-config/package.py +++ b/var/spack/repos/builtin/packages/pkg-config/package.py @@ -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") diff --git a/var/spack/repos/builtin/packages/py-SQLAlchemy/package.py b/var/spack/repos/builtin/packages/py-SQLAlchemy/package.py new file mode 100644 index 0000000000..9aecc95c63 --- /dev/null +++ b/var/spack/repos/builtin/packages/py-SQLAlchemy/package.py @@ -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) diff --git a/var/spack/repos/builtin/packages/py-bottleneck/package.py b/var/spack/repos/builtin/packages/py-bottleneck/package.py index 0aa4208b4d..d43308543b 100644 --- a/var/spack/repos/builtin/packages/py-bottleneck/package.py +++ b/var/spack/repos/builtin/packages/py-bottleneck/package.py @@ -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): diff --git a/var/spack/repos/builtin/packages/py-csvkit/package.py b/var/spack/repos/builtin/packages/py-csvkit/package.py new file mode 100644 index 0000000000..def30457be --- /dev/null +++ b/var/spack/repos/builtin/packages/py-csvkit/package.py @@ -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) diff --git a/var/spack/repos/builtin/packages/py-dbf/package.py b/var/spack/repos/builtin/packages/py-dbf/package.py new file mode 100644 index 0000000000..698b221903 --- /dev/null +++ b/var/spack/repos/builtin/packages/py-dbf/package.py @@ -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) diff --git a/var/spack/repos/builtin/packages/py-jdcal/package.py b/var/spack/repos/builtin/packages/py-jdcal/package.py new file mode 100644 index 0000000000..54169b2c21 --- /dev/null +++ b/var/spack/repos/builtin/packages/py-jdcal/package.py @@ -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) diff --git a/var/spack/repos/builtin/packages/py-matplotlib/package.py b/var/spack/repos/builtin/packages/py-matplotlib/package.py index 45e77dd631..1a190cc5f3 100644 --- a/var/spack/repos/builtin/packages/py-matplotlib/package.py +++ b/var/spack/repos/builtin/packages/py-matplotlib/package.py @@ -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$') depends_on('py-pyside', when='+gui') depends_on('py-ipython', when='+ipython') @@ -26,6 +26,7 @@ class PyMatplotlib(Package): depends_on('py-pbr') depends_on('py-funcsigs') + depends_on('pkg-config') depends_on('freetype') depends_on('qt', when='+gui') depends_on('bzip2') diff --git a/var/spack/repos/builtin/packages/py-numexpr/package.py b/var/spack/repos/builtin/packages/py-numexpr/package.py index 081a79dec6..0076aa456b 100644 --- a/var/spack/repos/builtin/packages/py-numexpr/package.py +++ b/var/spack/repos/builtin/packages/py-numexpr/package.py @@ -9,7 +9,7 @@ class PyNumexpr(Package): version('2.4.6', '17ac6fafc9ea1ce3eb970b9abccb4fbd') version('2.5', '84f66cced45ba3e30dcf77a937763aaa') - extends('python', ignore=r'bin/f2py$') + extends('python') depends_on('py-numpy') def install(self, spec, prefix): diff --git a/var/spack/repos/builtin/packages/py-openpyxl/package.py b/var/spack/repos/builtin/packages/py-openpyxl/package.py new file mode 100644 index 0000000000..87ff9f3521 --- /dev/null +++ b/var/spack/repos/builtin/packages/py-openpyxl/package.py @@ -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) diff --git a/var/spack/repos/builtin/packages/py-pandas/package.py b/var/spack/repos/builtin/packages/py-pandas/package.py index 2320b1f92f..59d515eb5e 100644 --- a/var/spack/repos/builtin/packages/py-pandas/package.py +++ b/var/spack/repos/builtin/packages/py-pandas/package.py @@ -10,7 +10,7 @@ class PyPandas(Package): version('0.16.1', 'fac4f25748f9610a3e00e765474bdea8') version('0.18.0', 'f143762cd7a59815e348adf4308d2cf6') - extends('python', ignore=r'bin/f2py$') + extends('python') depends_on('py-dateutil') depends_on('py-numpy') depends_on('py-setuptools') diff --git a/var/spack/repos/builtin/packages/py-scikit-image/package.py b/var/spack/repos/builtin/packages/py-scikit-image/package.py index 22ce1f8374..d13339060e 100644 --- a/var/spack/repos/builtin/packages/py-scikit-image/package.py +++ b/var/spack/repos/builtin/packages/py-scikit-image/package.py @@ -7,7 +7,7 @@ class PyScikitImage(Package): version('0.12.3', '04ea833383e0b6ad5f65da21292c25e1') - extends('python', ignore=r'bin/.*\.py$|bin/f2py$') + extends('python', ignore=r'bin/.*\.py$') depends_on('py-dask') depends_on('py-pillow') diff --git a/var/spack/repos/builtin/packages/py-setuptools/package.py b/var/spack/repos/builtin/packages/py-setuptools/package.py index c6d9be1add..1368711978 100644 --- a/var/spack/repos/builtin/packages/py-setuptools/package.py +++ b/var/spack/repos/builtin/packages/py-setuptools/package.py @@ -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') diff --git a/var/spack/repos/builtin/packages/py-xlrd/package.py b/var/spack/repos/builtin/packages/py-xlrd/package.py new file mode 100644 index 0000000000..8f25c06aad --- /dev/null +++ b/var/spack/repos/builtin/packages/py-xlrd/package.py @@ -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) diff --git a/var/spack/repos/builtin/packages/python/package.py b/var/spack/repos/builtin/packages/python/package.py index f5237c3b57..f7e1d94567 100644 --- a/var/spack/repos/builtin/packages/python/package.py +++ b/var/spack/repos/builtin/packages/python/package.py @@ -151,6 +151,8 @@ class Python(Package): 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) diff --git a/var/spack/repos/builtin/packages/qt/package.py b/var/spack/repos/builtin/packages/qt/package.py index 8cb88e6c85..93688fb777 100644 --- a/var/spack/repos/builtin/packages/qt/package.py +++ b/var/spack/repos/builtin/packages/qt/package.py @@ -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 @@ class Qt(Package): @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', diff --git a/var/spack/repos/builtin/packages/swig/package.py b/var/spack/repos/builtin/packages/swig/package.py index 8d46c4fe46..78a6c6bbae 100644 --- a/var/spack/repos/builtin/packages/swig/package.py +++ b/var/spack/repos/builtin/packages/swig/package.py @@ -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" + 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') diff --git a/var/spack/repos/builtin/packages/turbomole/package.py b/var/spack/repos/builtin/packages/turbomole/package.py new file mode 100644 index 0000000000..acc95e3b10 --- /dev/null +++ b/var/spack/repos/builtin/packages/turbomole/package.py @@ -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)) diff --git a/var/spack/repos/builtin/packages/wget/package.py b/var/spack/repos/builtin/packages/wget/package.py index 55728b0515..4b92659478 100644 --- a/var/spack/repos/builtin/packages/wget/package.py +++ b/var/spack/repos/builtin/packages/wget/package.py @@ -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") diff --git a/var/spack/repos/builtin/packages/xerces-c/package.py b/var/spack/repos/builtin/packages/xerces-c/package.py index b59ab178ae..e36fb936e0 100644 --- a/var/spack/repos/builtin/packages/xerces-c/package.py +++ b/var/spack/repos/builtin/packages/xerces-c/package.py @@ -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, diff --git a/var/spack/repos/builtin/packages/zoltan/package.py b/var/spack/repos/builtin/packages/zoltan/package.py index e20ae81adb..738dfb508b 100644 --- a/var/spack/repos/builtin/packages/zoltan/package.py +++ b/var/spack/repos/builtin/packages/zoltan/package.py @@ -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 @@ class Zoltan(Package): '--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) |