From cfd5e69b816eaca1a4d6d4467d5f1113fa0af407 Mon Sep 17 00:00:00 2001 From: Elizabeth F Date: Fri, 1 Apr 2016 15:16:28 -0400 Subject: [PATCH 01/12] Added Environment Modules package. --- .../packages/environment-modules/package.py | 27 +++++++++++++++++++ 1 file changed, 27 insertions(+) create mode 100644 var/spack/repos/builtin/packages/environment-modules/package.py diff --git a/var/spack/repos/builtin/packages/environment-modules/package.py b/var/spack/repos/builtin/packages/environment-modules/package.py new file mode 100644 index 00000000000..df903fddf8b --- /dev/null +++ b/var/spack/repos/builtin/packages/environment-modules/package.py @@ -0,0 +1,27 @@ +from spack import * + + +class EnvironmentModules(Package): + """Environment Modules for HPC""" + + homepage = "https://sourceforge.net/p/modules/wiki/Home/" + url = "http://prdownloads.sourceforge.net/modules/modules-3.2.10.tar.gz" + + version('3.2.10', '8b097fdcb90c514d7540bb55a3cb90fb') + + # Dependencies: + depends_on('tcl') + + def install(self, spec, prefix): + # See: https://sourceforge.net/p/modules/bugs/62/ + CPPFLAGS = ['-DUSE_INTERP_ERRORLINE'] + config_args = [ + "--prefix=%s" % prefix, + "--with-tcl=%s" % join_path(spec['tcl'].prefix, 'lib'), # It looks for tclConfig.sh + 'CPPFLAGS=%s' % ' '.join(CPPFLAGS) + ] + + + configure(*config_args) + make() + make("install") From 459aab628d73c7f6f1d4eecbf64b34ca334e0ada Mon Sep 17 00:00:00 2001 From: citibeth Date: Fri, 1 Apr 2016 16:00:58 -0400 Subject: [PATCH 02/12] Added documentation for installing Environment Modules with Spack. --- lib/spack/docs/basic_usage.rst | 28 ++++++++++++++++++++++++++++ 1 file changed, 28 insertions(+) diff --git a/lib/spack/docs/basic_usage.rst b/lib/spack/docs/basic_usage.rst index accf09cc2a4..0727e12f6e5 100644 --- a/lib/spack/docs/basic_usage.rst +++ b/lib/spack/docs/basic_usage.rst @@ -774,6 +774,34 @@ Environment modules Spack provides some limited integration with environment module systems to make it easier to use the packages it provides. + +Installing Environment Modules +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + +In order to use Spack's generated environment modules, you must have +installed the *Environment Modules* package. On many Linux +distributions, this can be installed from the vendor's repository. +For example: ```yum install environment-modules`` +(Fedora/RHEL/CentOS). If your Linux distribution does not have +Environment Modules, you can get it with Spack: + +1. Install with:: + + spack install environment-modules + +2. Activate with:: + + MODULES_HOME=`spack location -i environment-modules` + MODULES_VERSION=`ls -1 $MODULES_HOME/Modules | head -1` + ${MODULES_HOME}/Modules/${MODULES_VERSION}/bin/add.modules + +This adds to your ``.bashrc`` (or similar) files, enabling Environment +Modules when you log in. It will ask your permission before changing +any files. + +Spack and Environment Modules +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ + You can enable shell support by sourcing some files in the ``/share/spack`` directory. From 71ffe2f1c40edaa311a8b7d25d87d2c3ca25388f Mon Sep 17 00:00:00 2001 From: Geoffrey Oxberry Date: Thu, 31 Mar 2016 17:11:57 -0700 Subject: [PATCH 03/12] mumps: install mpiseq headers for '~mpi' Prior to this commit, spack installs a library called `libmpiseq` into `spec['mumps'].prefix.lib` when it builds MUMPS without MPI. However, it does not also install the headers corresponding to this library, so it is impossible to compile source files that depend on function calls implemented in this library. This commit fixes this problem by installing these headers, which are needed by packages (e.g., IPOPT) that depend on these headers. --- var/spack/repos/builtin/packages/mumps/package.py | 7 +++++-- 1 file changed, 5 insertions(+), 2 deletions(-) diff --git a/var/spack/repos/builtin/packages/mumps/package.py b/var/spack/repos/builtin/packages/mumps/package.py index 26440ab7c81..025d86ebdc2 100644 --- a/var/spack/repos/builtin/packages/mumps/package.py +++ b/var/spack/repos/builtin/packages/mumps/package.py @@ -1,5 +1,5 @@ from spack import * -import os, sys +import os, sys, glob class Mumps(Package): """MUMPS: a MUltifrontal Massively Parallel sparse direct Solver""" @@ -164,10 +164,13 @@ def install(self, spec, prefix): install_tree('lib', prefix.lib) install_tree('include', prefix.include) - if '~mpi' in spec: + + if '~mpi' in spec: lib_dsuffix = '.dylib' if sys.platform == 'darwin' else '.so' lib_suffix = lib_dsuffix if '+shared' in spec else '.a' install('libseq/libmpiseq%s' % lib_suffix, prefix.lib) + for f in glob.glob(join_path('libseq','*.h')): + install(f, prefix.include) # FIXME: extend the tests to mpirun -np 2 (or alike) when build with MPI # FIXME: use something like numdiff to compare blessed output with the current From edf6e9ceacab9aa2d8795340089182ead07c30b3 Mon Sep 17 00:00:00 2001 From: Geoffrey Oxberry Date: Thu, 31 Mar 2016 15:25:32 -0700 Subject: [PATCH 04/12] Add ipopt v3.12.4 package. Add package for the nonlinear programming solver IPOPT. This commit depends on the changes made in GitHub PR #711, since IPOPT requires the headers that correspond to the fake MPI implementation in sequential MUMPS. --- .../repos/builtin/packages/ipopt/package.py | 51 +++++++++++++++++++ 1 file changed, 51 insertions(+) create mode 100644 var/spack/repos/builtin/packages/ipopt/package.py diff --git a/var/spack/repos/builtin/packages/ipopt/package.py b/var/spack/repos/builtin/packages/ipopt/package.py new file mode 100644 index 00000000000..13c37bf79c4 --- /dev/null +++ b/var/spack/repos/builtin/packages/ipopt/package.py @@ -0,0 +1,51 @@ +from spack import * + +class Ipopt(Package): + """Ipopt (Interior Point OPTimizer, pronounced eye-pea-Opt) is a + software package for large-scale nonlinear optimization.""" + homepage = "https://projects.coin-or.org/Ipopt" + url = "http://www.coin-or.org/download/source/Ipopt/Ipopt-3.12.4.tgz" + + version('3.12.4', '12a8ecaff8dd90025ddea6c65b49cb03') + version('3.12.3', 'c560cbfa9cbf62acf8b485823c255a1b') + version('3.12.2', 'ec1e855257d7de09e122c446506fb00d') + version('3.12.1', 'ceaf895ce80c77778f2cab68ba9f17f3') + version('3.12.0', 'f7dfc3aa106a6711a85214de7595e827') + + depends_on("blas") + depends_on("lapack") + depends_on("pkg-config") + depends_on("mumps+double~mpi") + + def install(self, spec, prefix): + # Dependency directories + blas_dir = spec['blas'].prefix + lapack_dir = spec['lapack'].prefix + mumps_dir = spec['mumps'].prefix + + # Add directory with fake MPI headers in sequential MUMPS + # install to header search path + mumps_flags = "-ldmumps -lmumps_common -lpord -lmpiseq" + mumps_libcmd = "-L%s " % mumps_dir.lib + mumps_flags + + # By convention, spack links blas & lapack libs to libblas & liblapack + blas_lib = "-L%s" % blas_dir.lib + " -lblas" + lapack_lib = "-L%s" % lapack_dir.lib + " -llapack" + + configure_args = [ + "--prefix=%s" % prefix, + "--with-mumps-incdir=%s" % mumps_dir.include, + "--with-mumps-lib=%s" % mumps_libcmd, + "--enable-shared", + "--with-blas-incdir=%s" % blas_dir.include, + "--with-blas-lib=%s" % blas_lib, + "--with-lapack-incdir=%s" % lapack_dir.include, + "--with-lapack-lib=%s" % lapack_lib + ] + + configure(*configure_args) + + # IPOPT does not build correctly in parallel on OS X + make(parallel=False) + make("test", parallel=False) + make("install", parallel=False) From 624b576b1e21ea476eaf7fdc3ee38a97194e45f7 Mon Sep 17 00:00:00 2001 From: Denis Davydov Date: Sat, 2 Apr 2016 12:01:46 +0200 Subject: [PATCH 05/12] metis: fix compilation with Clang 7.3.0, add tests --- .../repos/builtin/packages/metis/package.py | 18 ++++++++++++++++++ 1 file changed, 18 insertions(+) diff --git a/var/spack/repos/builtin/packages/metis/package.py b/var/spack/repos/builtin/packages/metis/package.py index 9301135f9f3..d3bab554fec 100644 --- a/var/spack/repos/builtin/packages/metis/package.py +++ b/var/spack/repos/builtin/packages/metis/package.py @@ -79,10 +79,28 @@ def install(self, spec, prefix): if '+double' in spec: filter_file('REALTYPEWIDTH 32', 'REALTYPEWIDTH 64', metis_header) + # Make clang 7.3 happy. + # Prevents "ld: section __DATA/__thread_bss extends beyond end of file" + # See upstream LLVM issue https://llvm.org/bugs/show_bug.cgi?id=27059 + # Adopted from https://github.com/Homebrew/homebrew-science/blob/master/metis.rb + if spec.satisfies('%clang@7.3.0'): + filter_file('#define MAX_JBUFS 128', '#define MAX_JBUFS 24', join_path(source_directory, 'GKlib', 'error.c')) + with working_dir(build_directory, create=True): cmake(source_directory, *options) make() make("install") + # now run some tests: + for f in ["4elt", "copter2", "mdual"]: + graph = join_path(source_directory,'graphs','%s.graph' % f) + Executable(join_path(prefix.bin,'graphchk'))(graph) + Executable(join_path(prefix.bin,'gpmetis'))(graph,'2') + Executable(join_path(prefix.bin,'ndmetis'))(graph) + + graph = join_path(source_directory,'graphs','test.mgraph') + Executable(join_path(prefix.bin,'gpmetis'))(graph,'2') + graph = join_path(source_directory,'graphs','metis.mesh') + Executable(join_path(prefix.bin,'mpmetis'))(graph,'2') # install GKlib headers, which will be needed for ParMETIS GKlib_dist = join_path(prefix.include,'GKlib') From a88c6da9acc234484d34acf6588c838bef09e8c4 Mon Sep 17 00:00:00 2001 From: Denis Davydov Date: Sat, 2 Apr 2016 12:02:29 +0200 Subject: [PATCH 06/12] suite-sparse: fix a bug where interla metis was used; add TBB variant --- .../builtin/packages/suite-sparse/package.py | 36 +++++++++++++++---- 1 file changed, 29 insertions(+), 7 deletions(-) diff --git a/var/spack/repos/builtin/packages/suite-sparse/package.py b/var/spack/repos/builtin/packages/suite-sparse/package.py index c2196dcec4d..f2e71f74791 100644 --- a/var/spack/repos/builtin/packages/suite-sparse/package.py +++ b/var/spack/repos/builtin/packages/suite-sparse/package.py @@ -10,10 +10,13 @@ class SuiteSparse(Package): version('4.5.1', 'f0ea9aad8d2d1ffec66a5b6bfeff5319') + variant('tbb', default=True, description='Build with Intel TBB') + depends_on('blas') depends_on('lapack') depends_on('metis@5.1.0', when='@4.5.1') + depends_on('tbb', when='+tbb') def install(self, spec, prefix): # The build system of SuiteSparse is quite old-fashioned @@ -21,16 +24,35 @@ def install(self, spec, prefix): # with a lot of convoluted logic in it. # Any kind of customization will need to go through filtering of that file - # FIXME : this actually uses the current workaround - # FIXME : (blas / lapack always provide libblas and liblapack as aliases) - make('install', 'INSTALL=%s' % prefix, + make_args = ['INSTALL=%s' % prefix] - # inject Spack compiler wrappers + # inject Spack compiler wrappers + make_args.extend([ 'AUTOCC=no', 'CC=cc', 'CXX=c++', 'F77=f77', + ]) - # BLAS arguments require path to libraries - 'BLAS=-lblas', - 'LAPACK=-llapack') + # use Spack's metis in CHOLMOD/Partition module, + # otherwise internal Metis will be compiled + make_args.extend([ + 'MY_METIS_LIB=-L%s -lmetis' % spec['metis'].prefix.lib, + 'MY_METIS_INC=%s' % spec['metis'].prefix.include, + ]) + + # Intel TBB in SuiteSparseQR + if '+tbb' in spec: + make_args.extend([ + 'SPQR_CONFIG=-DHAVE_TBB', + 'TBB=-L%s -ltbb' % spec['tbb'].prefix.lib, + ]) + + # BLAS arguments require path to libraries + # FIXME : (blas / lapack always provide libblas and liblapack as aliases) + make_args.extend([ + 'BLAS=-lblas', + 'LAPACK=-llapack' + ]) + + make('install', *make_args) From adccd18015eec2589d69194fa30be45b04cb515e Mon Sep 17 00:00:00 2001 From: Denis Davydov Date: Sat, 2 Apr 2016 12:02:59 +0200 Subject: [PATCH 07/12] dealii: add extra test for Petsc+Metis --- var/spack/repos/builtin/packages/dealii/package.py | 13 +++++++++++++ 1 file changed, 13 insertions(+) diff --git a/var/spack/repos/builtin/packages/dealii/package.py b/var/spack/repos/builtin/packages/dealii/package.py index 0b76db3827a..d8a0df643de 100644 --- a/var/spack/repos/builtin/packages/dealii/package.py +++ b/var/spack/repos/builtin/packages/dealii/package.py @@ -174,6 +174,19 @@ def install(self, spec, prefix): make('release') make('run',parallel=False) + # An example which uses Metis + PETSc + # FIXME: switch step-18 to MPI + with working_dir('examples/step-18'): + print('=====================================') + print('============= Step-18 ===============') + print('=====================================') + # list the number of cycles to speed up + filter_file(r'(end_time = 10;)', ('end_time = 3;'), 'step-18.cc') + if '^petsc' in spec and '^metis' in spec: + cmake('.') + make('release') + make('run',parallel=False) + # take step-40 which can use both PETSc and Trilinos # FIXME: switch step-40 to MPI run with working_dir('examples/step-40'): From 1c483ffe4e9b0dc03d469eba9c064461624a81be Mon Sep 17 00:00:00 2001 From: citibeth Date: Sat, 2 Apr 2016 13:09:56 -0400 Subject: [PATCH 08/12] Merged the best of two Spack packages for Environment Modules. Named "environment-modules" to be consistent with Fedora and Ubuntu repositories. See d96ea5b for original packages/modules/package.py --- .../packages/environment-modules/package.py | 14 ++++++++--- .../repos/builtin/packages/modules/package.py | 25 ------------------- 2 files changed, 10 insertions(+), 29 deletions(-) delete mode 100644 var/spack/repos/builtin/packages/modules/package.py diff --git a/var/spack/repos/builtin/packages/environment-modules/package.py b/var/spack/repos/builtin/packages/environment-modules/package.py index df903fddf8b..cc5d76760ee 100644 --- a/var/spack/repos/builtin/packages/environment-modules/package.py +++ b/var/spack/repos/builtin/packages/environment-modules/package.py @@ -2,7 +2,8 @@ class EnvironmentModules(Package): - """Environment Modules for HPC""" + """The Environment Modules package provides for the dynamic + modification of a user's environment via modulefiles.""" homepage = "https://sourceforge.net/p/modules/wiki/Home/" url = "http://prdownloads.sourceforge.net/modules/modules-3.2.10.tar.gz" @@ -16,12 +17,17 @@ def install(self, spec, prefix): # See: https://sourceforge.net/p/modules/bugs/62/ CPPFLAGS = ['-DUSE_INTERP_ERRORLINE'] config_args = [ - "--prefix=%s" % prefix, - "--with-tcl=%s" % join_path(spec['tcl'].prefix, 'lib'), # It looks for tclConfig.sh + '--prefix=%s' % prefix, + '--disable-debug', + '--disable-dependency-tracking', + '--disable-silent-rules', + '--disable-versioning', + '--datarootdir=%s' % prefix.share, + '--with-tcl=%s' % join_path(spec['tcl'].prefix, 'lib'), # It looks for tclConfig.sh 'CPPFLAGS=%s' % ' '.join(CPPFLAGS) ] configure(*config_args) make() - make("install") + make('install') diff --git a/var/spack/repos/builtin/packages/modules/package.py b/var/spack/repos/builtin/packages/modules/package.py deleted file mode 100644 index b014ee460c2..00000000000 --- a/var/spack/repos/builtin/packages/modules/package.py +++ /dev/null @@ -1,25 +0,0 @@ -from spack import * - -class Modules(Package): - """ The Environment Modules package provides for the dynamic modification of a user's environment via modulefiles. """ - - homepage = "http://modules.sf.net" - url = "http://downloads.sourceforge.net/project/modules/Modules/modules-3.2.10/modules-3.2.10.tar.gz" - - version('3.2.10', '8b097fdcb90c514d7540bb55a3cb90fb') - - depends_on("tcl") - - def install(self, spec, prefix): - - options = ['--prefix=%s' % prefix, - '--disable-debug', - '--disable-dependency-tracking', - '--disable-silent-rules', - '--disable-versioning', - '--datarootdir=%s' % prefix.share, - 'CPPFLAGS=-DUSE_INTERP_ERRORLINE'] - - configure(*options) - make() - make("install") From e0ff3f16cc142fb9ca55cc1c6000fb230627f8fe Mon Sep 17 00:00:00 2001 From: Denis Davydov Date: Sun, 3 Apr 2016 19:41:20 +0200 Subject: [PATCH 09/12] dealii: blacklist boost --- var/spack/repos/builtin/packages/dealii/package.py | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/var/spack/repos/builtin/packages/dealii/package.py b/var/spack/repos/builtin/packages/dealii/package.py index d8a0df643de..1f763ad3588 100644 --- a/var/spack/repos/builtin/packages/dealii/package.py +++ b/var/spack/repos/builtin/packages/dealii/package.py @@ -23,8 +23,10 @@ class Dealii(Package): # required dependencies, light version depends_on ("blas") - depends_on ("boost", when='~mpi') - depends_on ("boost+mpi", when='+mpi') + # Boost 1.58 is blacklisted, see https://github.com/dealii/dealii/issues/1591 + # require at least 1.59 + depends_on ("boost@1.59.0:", when='~mpi') + depends_on ("boost@1.59.0:+mpi", when='+mpi') depends_on ("bzip2") depends_on ("cmake") depends_on ("lapack") From 79836520d989a19bc49b912698b22fdc8a65ca59 Mon Sep 17 00:00:00 2001 From: citibeth Date: Sun, 3 Apr 2016 21:38:29 -0400 Subject: [PATCH 10/12] Fixed up to work on a machine without any system-install tcl. --- .../builtin/packages/environment-modules/package.py | 9 +++++++-- 1 file changed, 7 insertions(+), 2 deletions(-) diff --git a/var/spack/repos/builtin/packages/environment-modules/package.py b/var/spack/repos/builtin/packages/environment-modules/package.py index cc5d76760ee..45181da41bf 100644 --- a/var/spack/repos/builtin/packages/environment-modules/package.py +++ b/var/spack/repos/builtin/packages/environment-modules/package.py @@ -14,16 +14,21 @@ class EnvironmentModules(Package): depends_on('tcl') def install(self, spec, prefix): + tcl_spec = spec['tcl'] + # See: https://sourceforge.net/p/modules/bugs/62/ CPPFLAGS = ['-DUSE_INTERP_ERRORLINE'] config_args = [ - '--prefix=%s' % prefix, + "--without-tclx", + "--with-tclx-ver=0.0", + "--prefix=%s" % prefix, + "--with-tcl=%s" % join_path(tcl_spec.prefix, 'lib'), # It looks for tclConfig.sh + "--with-tcl-ver=%d.%d" % (tcl_spec.version.version[0], tcl_spec.version.version[1]), '--disable-debug', '--disable-dependency-tracking', '--disable-silent-rules', '--disable-versioning', '--datarootdir=%s' % prefix.share, - '--with-tcl=%s' % join_path(spec['tcl'].prefix, 'lib'), # It looks for tclConfig.sh 'CPPFLAGS=%s' % ' '.join(CPPFLAGS) ] From 131d34f318a9955ff05c35eb8de0b399c31d5cc2 Mon Sep 17 00:00:00 2001 From: Denis Davydov Date: Mon, 4 Apr 2016 09:05:27 +0200 Subject: [PATCH 11/12] suite-sparse: temporary disable TBB due to linking errors --- var/spack/repos/builtin/packages/suite-sparse/package.py | 9 +++++++-- 1 file changed, 7 insertions(+), 2 deletions(-) diff --git a/var/spack/repos/builtin/packages/suite-sparse/package.py b/var/spack/repos/builtin/packages/suite-sparse/package.py index f2e71f74791..a4b3979a157 100644 --- a/var/spack/repos/builtin/packages/suite-sparse/package.py +++ b/var/spack/repos/builtin/packages/suite-sparse/package.py @@ -10,13 +10,18 @@ class SuiteSparse(Package): version('4.5.1', 'f0ea9aad8d2d1ffec66a5b6bfeff5319') - variant('tbb', default=True, description='Build with Intel TBB') + # FIXME: (see below) + # variant('tbb', default=True, description='Build with Intel TBB') depends_on('blas') depends_on('lapack') depends_on('metis@5.1.0', when='@4.5.1') - depends_on('tbb', when='+tbb') + # FIXME: + # in @4.5.1. TBB support in SPQR seems to be broken as TBB-related linkng flags + # does not seem to be used, which leads to linking errors on Linux. + # Try re-enabling in future versions. + # depends_on('tbb', when='+tbb') def install(self, spec, prefix): # The build system of SuiteSparse is quite old-fashioned From 0296f96c7b5279b2dd9cf585a493f21e3344fe2b Mon Sep 17 00:00:00 2001 From: Todd Gamblin Date: Mon, 4 Apr 2016 13:56:15 -0700 Subject: [PATCH 12/12] Resolves #739. Don't call setup_dependent_* for package itself. --- lib/spack/spack/build_environment.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/lib/spack/spack/build_environment.py b/lib/spack/spack/build_environment.py index f4f8037ac09..eb72f2a6b4a 100644 --- a/lib/spack/spack/build_environment.py +++ b/lib/spack/spack/build_environment.py @@ -304,7 +304,7 @@ def setup_package(pkg): # traverse in postorder so package can use vars from its dependencies spec = pkg.spec - for dspec in pkg.spec.traverse(order='post'): + for dspec in pkg.spec.traverse(order='post', root=False): # If a user makes their own package repo, e.g. # spack.repos.mystuff.libelf.Libelf, and they inherit from # an existing class like spack.repos.original.libelf.Libelf, @@ -321,6 +321,7 @@ def setup_package(pkg): dpkg.setup_dependent_package(pkg.module, spec) dpkg.setup_dependent_environment(spack_env, run_env, spec) + set_module_variables_for_package(pkg, pkg.module) pkg.setup_environment(spack_env, run_env) # Make sure nothing's strange about the Spack environment.