def _simulated_load_dependency_module(self, name, version, metadata, verbose=False):
"""
Set environment variables picked up by utility functions for dependencies specified as external modules.
@param name: software name
@param version: software version
@param metadata: dictionary with software metadata ('prefix' for software installation prefix)
"""
self.log.debug("Defining $EB* environment variables for software named %s", name)
# define $EBROOT env var for install prefix, picked up by get_software_root
prefix = metadata.get('prefix')
if prefix is not None:
if prefix in os.environ:
val = os.environ[prefix]
self.log.debug("Using value of $%s as prefix for software named %s: %s", prefix, name, val)
else:
val = prefix
self.log.debug("Using specified prefix for software named %s: %s", name, val)
setvar(get_software_root_env_var_name(name), val, verbose=verbose)
# define $EBVERSION env var for software version, picked up by get_software_version
if version is not None:
setvar(get_software_version_env_var_name(name), version, verbose=verbose)
def correct_mpich_build_env(self):
"""
Method to correctly set the environment for MPICH and derivatives
"""
env_vars = ["CFLAGS", "CPPFLAGS", "CXXFLAGS", "FCFLAGS", "FFLAGS", "LDFLAGS", "LIBS"]
vars_to_unset = ["F90", "F90FLAGS"]
for envvar in env_vars:
envvar_val = os.getenv(envvar)
if envvar_val:
new_envvar = "MPICHLIB_%s" % envvar
new_envvar_val = os.getenv(new_envvar)
vars_to_unset.append(envvar)
if envvar_val == new_envvar_val:
self.log.debug("$%s == $%s, just defined $%s as empty", envvar, new_envvar, envvar)
elif new_envvar_val is None:
env.setvar(new_envvar, envvar_val)
else:
raise EasyBuildError(
"Both $%s and $%s set, can I overwrite $%s with $%s (%s) ?",
envvar,
new_envvar,
new_envvar,
envvar,
envvar_val,
)
env.unset_env_vars(vars_to_unset)
def configure_step(self):
"""Configure build: set config options and configure"""
if LooseVersion(self.version) < LooseVersion("4.3"):
self.cfg.update('configopts', "--enable-shared")
if self.toolchain.options['pic']:
self.cfg.update('configopts', '--with-pic')
# tup = (os.getenv('FFLAGS'), os.getenv('MPICC'), os.getenv('F90'))
tup = (os.getenv('FFLAGS'), os.getenv('CC'), os.getenv('F90'))
self.cfg.update('configopts', 'FCFLAGS="%s" CC="%s" FC="%s"' % tup)
# add -DgFortran to CPPFLAGS when building with GCC
if self.toolchain.comp_family() == toolchain.GCC: #@UndefinedVariable
self.cfg.update('configopts', 'CPPFLAGS="%s -DgFortran"' % os.getenv('CPPFLAGS'))
ConfigureMake.configure_step(self)
else:
hdf5 = get_software_root('HDF5')
if hdf5:
env.setvar('HDF5_ROOT', hdf5)
CMakeMake.configure_step(self)
def test_cases_step(self):
"""Run test cases, if specified."""
for test in self.cfg['tests']:
# check expected format
if not len(test) == 4:
raise EasyBuildError("WIEN2k test case not specified in expected format: "
"(testcase_name, init_lapw_args, run_lapw_args, [scf_regexp_pattern])")
test_name = test[0]
init_args = test[1]
run_args = test[2]
scf_regexp_patterns = test[3]
try:
cwd = os.getcwd()
# WIEN2k enforces that working dir has same name as test case
tmpdir = os.path.join(tempfile.mkdtemp(), test_name)
scratch = os.path.join(tmpdir, 'scratch')
mkdir(scratch, parents=True)
env.setvar('SCRATCH', scratch)
os.chdir(tmpdir)
self.log.info("Running test case %s in %s" % (test_name, tmpdir))
except OSError as err:
raise EasyBuildError("Failed to create temporary directory for test %s: %s", test_name, err)
# try and find struct file for test
test_fp = self.obtain_file("%s.struct" % test_name)
try:
shutil.copy2(test_fp, tmpdir)
except OSError as err:
raise EasyBuildError("Failed to copy %s: %s", test_fp, err)
# run test
cmd = "init_lapw %s" % init_args
run_cmd(cmd, log_all=True, simple=True)
cmd = "run_lapw %s" % run_args
run_cmd(cmd, log_all=True, simple=True)
# check output
scf_fn = "%s.scf" % test_name
self.log.debug("Checking output of test %s in %s" % (str(test), scf_fn))
scftxt = read_file(scf_fn)
for regexp_pat in scf_regexp_patterns:
regexp = re.compile(regexp_pat, re.M)
if not regexp.search(scftxt):
raise EasyBuildError("Failed to find pattern %s in %s", regexp.pattern, scf_fn)
else:
self.log.debug("Found pattern %s in %s" % (regexp.pattern, scf_fn))
# cleanup
try:
os.chdir(cwd)
rmtree2(tmpdir)
except OSError as err:
raise EasyBuildError("Failed to clean up temporary test dir: %s", err)
def install_step(self):
"""Custom install procedure for VSC-tools."""
args = "install --prefix=%(path)s --install-lib=%(path)s/lib" % {'path': self.installdir}
pylibdir = os.path.join(self.installdir, 'lib')
env.setvar('PYTHONPATH', '%s:%s' % (pylibdir, os.getenv('PYTHONPATH')))
try:
os.mkdir(pylibdir)
pwd = os.getcwd()
pkg_list = ['-'.join(src['name'].split('-')[0:-1]) for src in self.src if src['name'].startswith('vsc')]
for pkg in pkg_list:
os.chdir(self.builddir)
sel_dirs = [d for d in glob.glob("%s-[0-9][0-9.]*" % pkg)]
if not len(sel_dirs) == 1:
self.log.error("Found none or more than one %s dir in %s: %s" % (pkg, self.builddir, sel_dirs))
os.chdir(os.path.join(self.builddir, sel_dirs[0]))
cmd = "python setup.py %s" % args
run_cmd(cmd, log_all=True, simple=True, log_output=True)
os.chdir(pwd)
except OSError, err:
self.log.error("Failed to install: %s" % err)
def sanity_check_step(self):
"""Custom sanity check for TensorFlow."""
custom_paths = {
'files': ['bin/tensorboard'],
'dirs': [self.pylibdir],
}
custom_commands = [
"%s -c 'import tensorflow'" % self.python_cmd,
# tf_should_use importsweakref.finalize, which requires backports.weakref for Python < 3.4
"%s -c 'from tensorflow.python.util import tf_should_use'" % self.python_cmd,
]
res = super(EB_TensorFlow, self).sanity_check_step(custom_paths=custom_paths, custom_commands=custom_commands)
# determine top-level directory
# start_dir is not set when TensorFlow is installed as an extension, then fall back to ext_dir
topdir = self.start_dir or self.ext_dir
# test installation using MNIST tutorial examples
if self.cfg['runtest']:
pythonpath = os.getenv('PYTHONPATH', '')
env.setvar('PYTHONPATH', os.pathsep.join([os.path.join(self.installdir, self.pylibdir), pythonpath]))
for mnist_py in ['mnist_softmax.py', 'mnist_with_summaries.py']:
datadir = tempfile.mkdtemp(suffix='-tf-%s-data' % os.path.splitext(mnist_py)[0])
logdir = tempfile.mkdtemp(suffix='-tf-%s-logs' % os.path.splitext(mnist_py)[0])
mnist_py = os.path.join(topdir, 'tensorflow', 'examples', 'tutorials', 'mnist', mnist_py)
cmd = "%s %s --data_dir %s --log_dir %s" % (self.python_cmd, mnist_py, datadir, logdir)
run_cmd(cmd, log_all=True, simple=True, log_ok=True)
return res
def prepare_step(self):
"""Custom prepare step for IntelBase. Set up the license"""
super(IntelBase, self).prepare_step()
default_lic_env_var = 'INTEL_LICENSE_FILE'
lic_specs, self.license_env_var = find_flexlm_license(custom_env_vars=[default_lic_env_var],
lic_specs=[self.cfg['license_file']])
if lic_specs:
if self.license_env_var is None:
self.log.info("Using Intel license specifications from 'license_file': %s", lic_specs)
self.license_env_var = default_lic_env_var
else:
self.log.info("Using Intel license specifications from $%s: %s", self.license_env_var, lic_specs)
self.license_file = os.pathsep.join(lic_specs)
env.setvar(self.license_env_var, self.license_file)
# if we have multiple retained lic specs, specify to 'use a license which exists on the system'
if len(lic_specs) > 1:
self.log.debug("More than one license specs found, using '%s' license activation instead of '%s'",
ACTIVATION_EXIST_LIC, self.cfg['license_activation'])
self.cfg['license_activation'] = ACTIVATION_EXIST_LIC
# $INTEL_LICENSE_FILE should always be set during installation with existing license
env.setvar(default_lic_env_var, self.license_file)
else:
msg = "No viable license specifications found; "
msg += "specify 'license_file', or define $INTEL_LICENSE_FILE or $LM_LICENSE_FILE"
raise EasyBuildError(msg)
def prepare(self, *args, **kwargs):
"""Prepare to use this toolchain; define $CRAYPE_LINK_TYPE if 'dynamic' toolchain option is enabled."""
super(CrayPECompiler, self).prepare(*args, **kwargs)
if self.options['dynamic'] or self.options['shared']:
self.log.debug("Enabling building of shared libs/dynamically linked executables via $CRAYPE_LINK_TYPE")
env.setvar('CRAYPE_LINK_TYPE', 'dynamic')
def _setenv_variables(self, donotset=None):
"""Actually set the environment variables"""
self.log.debug("_setenv_variables: setting variables: donotset=%s" % donotset)
donotsetlist = []
if isinstance(donotset, str):
# TODO : more legacy code that should be using proper type
self.log.raiseException("_setenv_variables: using commas-separated list. should be deprecated.")
donotsetlist = donotset.split(',')
elif isinstance(donotset, list):
donotsetlist = donotset
for key, val in self.vars.items():
if key in donotsetlist:
self.log.debug("_setenv_variables: not setting environment variable %s (value: %s)." % (key, val))
continue
self.log.debug("_setenv_variables: setting environment variable %s to %s" % (key, val))
setvar(key, val)
# also set unique named variables that can be used in Makefiles
# - so you can have 'CFLAGS = $(EBVARCFLAGS)'
# -- 'CLFLAGS = $(CFLAGS)' gives '*** Recursive variable `CFLAGS'
# references itself (eventually). Stop' error
setvar("EBVAR%s" % key, val)
def test_cases_step(self):
"""Run test cases, if specified."""
for test in self.cfg['tests']:
# check expected format
if not len(test) == 4:
raise EasyBuildError("WIEN2k test case not specified in expected format: "
"(testcase_name, init_lapw_args, run_lapw_args, [scf_regexp_pattern])")
test_name = test[0]
init_args = test[1]
run_args = test[2]
scf_regexp_patterns = test[3]
try:
cwd = os.getcwd()
# WIEN2k enforces that working dir has same name as test case
tmpdir = os.path.join(tempfile.mkdtemp(), test_name)
scratch = os.path.join(tmpdir, 'scratch')
mkdir(scratch, parents=True)
env.setvar('SCRATCH', scratch)
os.chdir(tmpdir)
self.log.info("Running test case %s in %s" % (test_name, tmpdir))
except OSError, err:
raise EasyBuildError("Failed to create temporary directory for test %s: %s", test_name, err)
# try and find struct file for test
test_fp = self.obtain_file("%s.struct" % test_name)
try:
shutil.copy2(test_fp, tmpdir)
except OSError, err:
raise EasyBuildError("Failed to copy %s: %s", test_fp, err)
def configure_step(self):
"""Configure FSL build: set FSLDIR env var."""
self.fsldir = self.cfg['start_dir']
env.setvar('FSLDIR', self.fsldir)
# determine FSL machine type
cmd = ". %s/etc/fslconf/fslmachtype.sh" % self.fsldir
(out, _) = run_cmd(cmd, log_all=True, simple=False)
fslmachtype = out.strip()
self.log.debug("FSL machine type: %s" % fslmachtype)
# prepare config
# either using matching config, or copy closest match
cfgdir = os.path.join(self.fsldir, "config")
try:
cfgs = os.listdir(cfgdir)
best_cfg = difflib.get_close_matches(fslmachtype, cfgs)[0]
self.log.debug("Best matching config dir for %s is %s" % (fslmachtype, best_cfg))
if fslmachtype != best_cfg:
srcdir = os.path.join(cfgdir, best_cfg)
tgtdir = os.path.join(cfgdir, fslmachtype)
shutil.copytree(srcdir, tgtdir)
self.log.debug("Copied %s to %s" % (srcdir, tgtdir))
except OSError, err:
self.log.error("Failed to copy closest matching config dir: %s" % err)
def configure_step(self):
"""Custom configuration procedure for pplacer."""
# install dir has to be non-existing when we start (it may be there from a previous (failed) install
try:
if os.path.exists(self.installdir):
shutil.rmtree(self.installdir)
self.log.warning("Existing install directory %s removed", self.installdir)
except OSError as err:
raise EasyBuildError("Failed to remove %s: %s", self.installdir, err)
# configure OPAM to install pplacer dependencies
env.setvar('OPAMROOT', self.installdir)
opam_init_cmd = mk_opam_init_cmd()
run_cmd(opam_init_cmd)
run_cmd("opam repo add pplacer-deps %s/pplacer-opam-repository*/" % self.builddir)
run_cmd("opam update pplacer-deps")
env.setvar('OCAML_BACKEND', 'gcc')
run_cmd("eval `opam config env` && cat opam-requirements.txt | xargs -t opam install -y")
txt = "let version = \"v%s\"\n" % self.version
write_file(os.path.join(self.builddir, 'pplacer-%s' % self.version, 'common_src', 'version.ml'), txt)
def configure_step(self):
"""Configure build: set require config and make options, and run configure script."""
for dep in self.known_deps:
root = get_software_root(dep['name'])
if root:
self.cfg.update('configopts', '--with-%s=%s' % (dep['with'], root))
fcomp = 'FC="%s"' % os.getenv('F90')
self.cfg.update('configopts', "--with-pic --with-pthread --enable-shared")
self.cfg.update('configopts', "--enable-cxx --enable-fortran %s" % fcomp)
# MPI and C++ support enabled requires --enable-unsupported, because this is untested by HDF5
# also returns False if MPI is not supported by this toolchain
if self.toolchain.options.get('usempi', None):
self.cfg.update('configopts', "--enable-unsupported --enable-parallel")
mpich_mpi_families = [toolchain.INTELMPI, toolchain.MPICH, toolchain.MPICH2, toolchain.MVAPICH2]
if self.toolchain.mpi_family() in mpich_mpi_families:
self.cfg.update('buildopts', 'CXXFLAGS="$CXXFLAGS -DMPICH_IGNORE_CXX_SEEK"')
else:
self.cfg.update('configopts', "--disable-parallel")
# make options
self.cfg.update('buildopts', fcomp)
# set RUNPARALLEL if MPI is not enabled (or not supported by this toolchain)
if self.toolchain.options.get('usempi', None):
env.setvar('RUNPARALLEL', 'mpirun -np \$\${NPROCS:=2}')
super(EB_HDF5, self).configure_step()
def configure_step(self):
"""Configure: handle license file and clean home dir."""
# obtain license path
try:
self.license_file = self.cfg['license_file']
except:
# the default should exist
self.log.deprecated('No new style license_file parameter, license_file is now mandatory', '2.0')
self.license_file = None
if self.license_file is None:
self.log.deprecated('Checking for old style license', '2.0')
self.cfg.enable_templating = False
lic = self.cfg['license']
# old style license is a path (type string)
if isinstance(lic, License) and isinstance(lic, str):
self.log.deprecated('No old style license parameter, license has to be pure License subclass', '2.0')
self.license_file = lic
self.cfg.enable_templating = True
if self.license_file:
self.log.info("Using license file %s" % self.license_file)
else:
self.log.error("No license file defined")
# verify license path
if not os.path.exists(self.license_file):
self.log.error("Can't find license at %s" % self.license_file)
# set INTEL_LICENSE_FILE
env.setvar("INTEL_LICENSE_FILE", self.license_file)
# clean home directory
self.clean_home_subdir()
def configure_step(self, srcdir=None, builddir=None):
"""Configure build using cmake"""
if builddir is not None:
self.log.nosupport("CMakeMake.configure_step: named argument 'builddir' (should be 'srcdir')", "2.0")
# Set the search paths for CMake
tc_ipaths = self.toolchain.get_variable("CPPFLAGS", list)
tc_lpaths = self.toolchain.get_variable("LDFLAGS", list)
cpaths = os.getenv('CPATH', '').split(os.pathsep)
lpaths = os.getenv('LD_LIBRARY_PATH', '').split(os.pathsep)
include_paths = os.pathsep.join(nub(tc_ipaths + cpaths))
library_paths = os.pathsep.join(nub(tc_lpaths + lpaths))
setvar("CMAKE_INCLUDE_PATH", include_paths)
setvar("CMAKE_LIBRARY_PATH", library_paths)
default_srcdir = '.'
if self.cfg.get('separate_build_dir', False):
objdir = os.path.join(self.builddir, 'easybuild_obj')
try:
os.mkdir(objdir)
os.chdir(objdir)
except OSError, err:
raise EasyBuildError("Failed to create separate build dir %s in %s: %s", objdir, os.getcwd(), err)
default_srcdir = self.cfg['start_dir']
def _prepare_dependency_external_module(self, dep):
"""Set environment variables picked up by utility functions for dependencies specified as external modules."""
mod_name = dep['full_mod_name']
metadata = dep['external_module_metadata']
self.log.debug("Defining $EB* environment variables for external module %s", mod_name)
names = metadata.get('name', [])
versions = metadata.get('version', [None]*len(names))
self.log.debug("Metadata for external module %s: %s", mod_name, metadata)
for name, version in zip(names, versions):
self.log.debug("Defining $EB* environment variables for external module %s under name %s", mod_name, name)
# define $EBROOT env var for install prefix, picked up by get_software_root
prefix = metadata.get('prefix')
if prefix is not None:
if prefix in os.environ:
val = os.environ[prefix]
self.log.debug("Using value of $%s as prefix for external module %s: %s", prefix, mod_name, val)
else:
val = prefix
self.log.debug("Using specified prefix for external module %s: %s", mod_name, val)
setvar(get_software_root_env_var_name(name), val)
# define $EBVERSION env var for software version, picked up by get_software_version
if version is not None:
setvar(get_software_version_env_var_name(name), version)
def configure_step(self):
"""Configure: handle license file and clean home dir."""
# obtain license path
self.license = self.cfg['license']
if self.license:
self.log.info("Using license %s" % self.license)
else:
self.log.error("No license defined")
# verify license path
if not os.path.exists(self.license):
self.log.error("Can't find license at %s" % self.license)
# set INTEL_LICENSE_FILE
env.setvar("INTEL_LICENSE_FILE", self.license)
# patch install scripts with randomly suffixed intel hom subdir
for fn in ["install.sh", "pset/install.sh", "pset/iat/iat_install.sh",
"data/install_mpi.sh", "pset/install_cc.sh", "pset/install_fc.sh"]:
try:
if os.path.isfile(fn):
self.log.info("Patching %s with intel home subdir %s" % (fn, self.home_subdir))
for line in fileinput.input(fn, inplace=1, backup='.orig'):
line = re.sub(r'(.*)(NONRPM_DB_PREFIX="\$HOME/)intel(.*)',
r'\1\2%s\3' % self.home_subdir, line)
line = re.sub(r'(.*)(DEFAULT_DB_PREFIX="\$\(echo ~\)/)intel(.*)',
r'\1\2%s\3' % self.home_subdir, line)
sys.stdout.write(line)
except (OSError, IOError), err:
self.log.error("Failed to modify install script %s with randomly suffixed home subdir: %s" % (fn, err))
def _simulated_load_dependency_module(self, name, version, metadata, verbose=False):
"""
Set environment variables picked up by utility functions for dependencies specified as external modules.
@param name: software name
@param version: software version
@param metadata: dictionary with software metadata ('prefix' for software installation prefix)
"""
self.log.debug("Defining $EB* environment variables for software named %s", name)
# define $EBROOT env var for install prefix, picked up by get_software_root
prefix = metadata.get('prefix')
if prefix is not None:
# the prefix can be specified in a number of ways
# * name of environment variable (+ optional relative path to combine it with; format: <name>/<relpath>
# * filepath (assumed if environment variable is not defined)
parts = prefix.split(os.path.sep)
env_var = parts[0]
if env_var in os.environ:
prefix = os.environ[env_var]
rel_path = os.path.sep.join(parts[1:])
if rel_path:
prefix = os.path.join(prefix, rel_path, '')
self.log.debug("Derived prefix for software named %s from $%s (rel path: %s): %s",
name, env_var, rel_path, prefix)
else:
self.log.debug("Using specified path as prefix for software named %s: %s", name, prefix)
setvar(get_software_root_env_var_name(name), prefix, verbose=verbose)
# define $EBVERSION env var for software version, picked up by get_software_version
if version is not None:
setvar(get_software_version_env_var_name(name), version, verbose=verbose)
def configure_step(self):
"""Configure Python package build/install."""
if self.sitecfg is not None:
# used by some extensions, like numpy, to find certain libs
finaltxt = self.sitecfg
if self.sitecfglibdir:
repl = self.sitecfglibdir
finaltxt = finaltxt.replace('SITECFGLIBDIR', repl)
if self.sitecfgincdir:
repl = self.sitecfgincdir
finaltxt = finaltxt.replace('SITECFGINCDIR', repl)
self.log.debug("Using %s: %s" % (self.sitecfgfn, finaltxt))
try:
if os.path.exists(self.sitecfgfn):
txt = open(self.sitecfgfn).read()
self.log.debug("Found %s: %s" % (self.sitecfgfn, txt))
config = open(self.sitecfgfn, 'w')
config.write(finaltxt)
config.close()
except IOError:
raise EasyBuildError("Creating %s failed", self.sitecfgfn)
# creates log entries for python being used, for debugging
run_cmd("%s -V" % self.python_cmd, verbose=False)
run_cmd("%s -c 'import sys; print(sys.executable)'" % self.python_cmd, verbose=False)
# don't add user site directory to sys.path (equivalent to python -s)
# see https://www.python.org/dev/peps/pep-0370/
env.setvar('PYTHONNOUSERSITE', '1', verbose=False)
run_cmd("%s -c 'import sys; print(sys.path)'" % self.python_cmd, verbose=False)
def install_step(self):
"""Custom install procedure for EggLib: first build/install C++ library, then build Python library."""
# build/install C++ library
cpp_subdir = os.path.join(self.builddir, 'egglib-cpp-%s' % self.version)
try:
os.chdir(cpp_subdir)
except OSError as err:
raise EasyBuildError("Failed to move to: %s", err)
ConfigureMake.configure_step(self)
ConfigureMake.build_step(self)
ConfigureMake.install_step(self)
# header files and libraries must be found when building Python library
for varname, subdir in [('CPATH', 'include'), ('LIBRARY_PATH', 'lib')]:
env.setvar(varname, '%s:%s' % (os.path.join(self.installdir, subdir), os.environ.get(varname, '')))
# build/install Python package
py_subdir = os.path.join(self.builddir, 'egglib-py-%s' % self.version)
try:
os.chdir(py_subdir)
except OSError as err:
raise EasyBuildError("Failed to move to: %s", err)
PythonPackage.build_step(self)
self.cfg.update('installopts', "--install-lib %s" % os.path.join(self.installdir, self.pylibdir))
self.cfg.update('installopts', "--install-scripts %s" % os.path.join(self.installdir, 'bin'))
PythonPackage.install_step(self)
def _setenv_variables(self, donotset=None, verbose=True):
"""Actually set the environment variables"""
self.log.debug("_setenv_variables: setting variables: donotset=%s" % donotset)
if self.dry_run:
dry_run_msg("Defining build environment...\n", silent=not verbose)
donotsetlist = []
if isinstance(donotset, str):
# TODO : more legacy code that should be using proper type
raise EasyBuildError("_setenv_variables: using commas-separated list. should be deprecated.")
elif isinstance(donotset, list):
donotsetlist = donotset
for key, val in sorted(self.vars.items()):
if key in donotsetlist:
self.log.debug("_setenv_variables: not setting environment variable %s (value: %s)." % (key, val))
continue
self.log.debug("_setenv_variables: setting environment variable %s to %s" % (key, val))
setvar(key, val, verbose=verbose)
# also set unique named variables that can be used in Makefiles
# - so you can have 'CFLAGS = $(EBVARCFLAGS)'
# -- 'CLFLAGS = $(CFLAGS)' gives '*** Recursive variable `CFLAGS'
# references itself (eventually). Stop' error
setvar("EBVAR%s" % key, val, verbose=False)
def install_step(self):
"""Install EasyBuild packages one by one."""
# unset $PYTHONPATH to try and avoid that current EasyBuild is picked up, and ends up in easy-install.pth
orig_pythonpath = os.getenv('PYTHONPATH')
self.log.debug("Original $PYTHONPATH: %s", orig_pythonpath)
env.setvar('PYTHONPATH', '')
try:
subdirs = os.listdir(self.builddir)
for pkg in self.easybuild_pkgs:
seldirs = [x for x in subdirs if x.startswith(pkg)]
if len(seldirs) != 1:
# vsc-base sources are optional, can be pulled in from PyPi when installing easybuild-framework too
if pkg != 'vsc-base':
raise EasyBuildError("Failed to find EasyBuild %s package (subdirs: %s, seldirs: %s)",
pkg, subdirs, seldirs)
else:
self.log.info("Installing EasyBuild package %s" % pkg)
os.chdir(os.path.join(self.builddir, seldirs[0]))
super(EB_EasyBuildMeta, self).install_step()
except OSError, err:
raise EasyBuildError("Failed to install EasyBuild packages: %s", err)
def symlink_commands(self, paths):
"""
Create a symlink for each command to binary/script at specified path.
:param paths: dictionary containing one or mappings, each one specified as a tuple:
(<path/to/script>, <list of commands to symlink to the script>)
"""
symlink_dir = tempfile.mkdtemp()
# prepend location to symlinks to $PATH
setvar('PATH', '%s:%s' % (symlink_dir, os.getenv('PATH')))
for (path, cmds) in paths.values():
for cmd in cmds:
cmd_s = os.path.join(symlink_dir, cmd)
if not os.path.exists(cmd_s):
try:
os.symlink(path, cmd_s)
except OSError as err:
raise EasyBuildError("Failed to symlink %s to %s: %s", path, cmd_s, err)
cmd_path = which(cmd)
self.log.debug("which(%s): %s -> %s", cmd, cmd_path, os.path.realpath(cmd_path))
self.log.info("Commands symlinked to %s via %s: %s", path, symlink_dir, ', '.join(cmds))
def configure_step(self):
"""Configure build: set require config and make options, and run configure script."""
# configure options for dependencies
deps = [
("Szip", "--with-szlib"),
("zlib", "--with-zlib"),
]
for (dep, opt) in deps:
root = get_software_root(dep)
if root:
self.cfg.update('configopts', '%s=%s' % (opt, root))
else:
raise EasyBuildError("Dependency module %s not loaded.", dep)
fcomp = 'FC="%s"' % os.getenv('F90')
self.cfg.update('configopts', "--with-pic --with-pthread --enable-shared")
self.cfg.update('configopts', "--enable-cxx --enable-fortran %s" % fcomp)
# MPI and C++ support enabled requires --enable-unsupported, because this is untested by HDF5
# also returns False if MPI is not supported by this toolchain
if self.toolchain.options.get('usempi', None):
self.cfg.update('configopts', "--enable-unsupported --enable-parallel")
else:
self.cfg.update('configopts', "--disable-parallel")
# make options
self.cfg.update('buildopts', fcomp)
# set RUNPARALLEL if MPI is not enabled (or not supported by this toolchain)
if self.toolchain.options.get('usempi', None):
env.setvar('RUNPARALLEL', 'mpirun -np \$\${NPROCS:=2}')
super(EB_HDF5, self).configure_step()
def configure_step(self):
"""Configure: handle license file and clean home dir."""
lic_env_var = 'INTEL_LICENSE_FILE'
intel_license_file = os.getenv(lic_env_var)
if intel_license_file is None:
self.log.debug("Env var $%s not set, trying 'license_file' easyconfig parameter..." % lic_env_var)
# obtain license path
try:
self.license_file = self.cfg['license_file']
except:
# the default should exist
self.log.deprecated('No new style license_file parameter, license_file is now mandatory', '2.0')
self.license_file = None
if self.license_file is None:
self.log.deprecated('Checking for old style license', '2.0')
self.cfg.enable_templating = False
lic = self.cfg['license']
# old style license is a path (type string)
if isinstance(lic, License) and isinstance(lic, str):
self.log.deprecated('No old style license parameter, license has to be pure License subclass', '2.0')
self.license_file = lic
self.cfg.enable_templating = True
if self.license_file:
self.log.info("Using license file %s" % self.license_file)
else:
self.log.error("No license file defined, consider setting $%s that will be picked up" % lic_env_var)
# verify license path
if not os.path.exists(self.license_file):
self.log.error("%s not found, correct 'license_file' value or $%s" % (self.license_file, lic_env_var))
# set INTEL_LICENSE_FILE
env.setvar(lic_env_var, self.license_file)
else:
# iterate through $INTEL_LICENSE_FILE until a .lic file is found
for lic in intel_license_file.split(os.pathsep):
if os.path.isfile(lic):
self.cfg['license_file'] = lic
self.license_file = lic
else:
lic_file = glob.glob("%s/*.lic" % lic)
if lic_file is not None:
continue
# just pick the first .lic, if it's not correct, $INTEL_LICENSE_FILE should be adjusted instead
self.cfg['license_file'] = lic_file[0]
self.license_file = lic_file[0]
self.log.info('Picking the first .lic file from $INTEL_LICENSE_FILE: %s' % lic_file[0])
if not self.license_file:
self.log.error("Cannot find a license file in %s" % intel_license_file)
self.log.info("Picking up Intel license file specification from $%s: %s" % (lic_env_var, self.license_file))
# clean home directory
self.clean_home_subdir()
def test_step(self):
"""Custom built-in test procedure for DIRAC."""
if self.cfg['runtest']:
# set up test environment
# see http://diracprogram.org/doc/release-14/installation/testing.html
env.setvar('DIRAC_TMPDIR', tempfile.mkdtemp(prefix='dirac-test-'))
env.setvar('DIRAC_MPI_COMMAND', self.toolchain.mpi_cmd_for('', self.cfg['parallel']))
# run tests (may take a while, especially if some tests take a while to time out)
self.log.info("Running tests may take a while, especially if some tests timeout (default timeout is 1500s)")
cmd = "make test"
out, ec = run_cmd(cmd, simple=False, log_all=False, log_ok=False)
# check that majority of tests pass
# some may fail due to timeout, but that's acceptable
# cfr. https://groups.google.com/forum/#!msg/dirac-users/zEd5-xflBnY/OQ1pSbuX810J
# over 90% of tests should pass
passed_regex = re.compile('^(9|10)[0-9.]+% tests passed', re.M)
if not passed_regex.search(out) and not self.dry_run:
raise EasyBuildError("Too many failed tests; '%s' not found in test output: %s",
passed_regex.pattern, out)
# extract test results
test_result_regex = re.compile(r'^\s*[0-9]+/[0-9]+ Test \s*#[0-9]+: .*', re.M)
test_results = test_result_regex.findall(out)
if test_results:
self.log.info("Found %d test results: %s", len(test_results), test_results)
elif self.dry_run:
# dummy test result
test_results = ["1/1 Test #1: dft_alda_xcfun ............................. Passed 72.29 sec"]
else:
raise EasyBuildError("Couldn't find *any* test results?")
test_count_regex = re.compile(r'^\s*[0-9]+/([0-9]+)')
res = test_count_regex.search(test_results[0])
if res:
test_count = int(res.group(1))
elif self.dry_run:
# a single dummy test result
test_count = 1
else:
raise EasyBuildError("Failed to determine total test count from %s using regex '%s'",
test_results[0], test_count_regex.pattern)
if len(test_results) != test_count:
raise EasyBuildError("Expected to find %s test results, but found %s", test_count, len(test_results))
# check test results, only 'Passed' or 'Timeout' are acceptable outcomes
faulty_tests = []
for test_result in test_results:
if ' Passed ' not in test_result:
self.log.warning("Found failed test: %s", test_result)
if '***Timeout' not in test_result:
faulty_tests.append(test_result)
if faulty_tests:
raise EasyBuildError("Found tests failing due to something else than timeout: %s", faulty_tests)
def __init__(self, *args, **kwargs):
"""Easyblock constructor: initialise class variables."""
super(EB_Amber, self).__init__(*args, **kwargs)
self.build_in_installdir = True
self.pylibdir = None
self.with_cuda = False
self.with_mpi = False
env.setvar('AMBERHOME', self.installdir)
def test_step(self):
"""Run the basic tests (but not necessarily the full regression tests) using make check"""
# allow to escape testing by setting runtest to False
if not self.cfg['runtest'] and not isinstance(self.cfg['runtest'], bool):
# make very sure OMP_NUM_THREADS is set to 1, to avoid hanging GROMACS regression test
env.setvar('OMP_NUM_THREADS', '1')
self.cfg['runtest'] = 'check'
super(EB_GROMACS, self).test_step()
def test_step(self):
"""Specify to running tests is done using 'make check'."""
# allow to escape testing by setting runtest to False
if not self.cfg['runtest'] and not isinstance(self.cfg['runtest'], bool):
self.cfg['runtest'] = 'check'
# make very sure OMP_NUM_THREADS is set to 1, to avoid hanging GROMACS regression test
env.setvar('OMP_NUM_THREADS', '1')
super(EB_GROMACS, self).test_step()
def install_step(self):
"""Custom install procedure to skip selection of python package versions."""
full_pylibdir = os.path.join(self.installdir, self.pylibdir)
env.setvar('PYTHONPATH', '%s:%s' % (full_pylibdir, os.getenv('PYTHONPATH')))
try:
os.mkdir(full_pylibdir)
except OSError, err:
# this will raise an error and not return
raise EasyBuildError("Failed to install: %s", err)
def install_step(self, silent_cfg_names_map=None):
"""Actual installation
- create silent cfg file
- set environment parameters
- execute command
"""
if silent_cfg_names_map is None:
silent_cfg_names_map = {}
silent = '\n'.join([
"%(activation_name)s=%(activation)s",
"%(license_file_name)s=%(license_file)s",
"%(install_dir_name)s=%(install_dir)s",
"ACCEPT_EULA=accept",
"INSTALL_MODE=NONRPM",
"CONTINUE_WITH_OPTIONAL_ERROR=yes",
]) % {
'activation_name':
silent_cfg_names_map.get('activation_name', 'ACTIVATION'),
'license_file_name':
silent_cfg_names_map.get('license_file_name', 'PSET_LICENSE_FILE'),
'install_dir_name':
silent_cfg_names_map.get('install_dir_name', 'PSET_INSTALL_DIR'),
'activation':
self.cfg['license_activation'],
'license_file':
self.license_file,
'install_dir':
silent_cfg_names_map.get('install_dir', self.installdir),
}
# we should be already in the correct directory
silentcfg = os.path.join(os.getcwd(), "silent.cfg")
try:
f = open(silentcfg, 'w')
f.write(silent)
f.close()
except:
self.log.exception("Writing silent cfg % failed" % silent)
self.log.debug("Contents of %s: %s" % (silentcfg, silent))
# workaround for mktmp: create tmp dir and use it
tmpdir = os.path.join(self.cfg['start_dir'], 'mytmpdir')
try:
os.makedirs(tmpdir)
except:
self.log.exception("Directory %s can't be created" % (tmpdir))
tmppathopt = ''
if self.cfg['usetmppath']:
env.setvar('TMP_PATH', tmpdir)
tmppathopt = "-t %s" % tmpdir
# set some extra env variables
env.setvar('LOCAL_INSTALL_VERBOSE', '1')
env.setvar('VERBOSE_MODE', '1')
env.setvar('INSTALL_PATH', self.installdir)
# perform installation
cmd = "./install.sh %s -s %s" % (tmppathopt, silentcfg)
return run_cmd(cmd, log_all=True, simple=True)
def configure_step(self):
"""Configure WIEN2k build by patching siteconfig_lapw script and running it."""
self.cfgscript = "siteconfig_lapw"
# patch config file first
# toolchain-dependent values
comp_answer = None
if self.toolchain.comp_family(
) == toolchain.INTELCOMP: #@UndefinedVariable
if LooseVersion(
get_software_version("icc")) >= LooseVersion("2011"):
comp_answer = 'I' # Linux (Intel ifort 12.0 compiler + mkl )
else:
comp_answer = "K1" # Linux (Intel ifort 11.1 compiler + mkl )
elif self.toolchain.comp_family(
) == toolchain.GCC: #@UndefinedVariable
comp_answer = 'V' # Linux (gfortran compiler + gotolib)
else:
raise EasyBuildError(
"Failed to determine toolchain-dependent answers.")
# libraries
rlibs = "%s %s" % (os.getenv('LIBLAPACK_MT'),
self.toolchain.get_flag('openmp'))
rplibs = [os.getenv('LIBSCALAPACK_MT'), os.getenv('LIBLAPACK_MT')]
fftwver = get_software_version('FFTW')
if fftwver:
suff = ''
if LooseVersion(fftwver) >= LooseVersion("3"):
suff = '3'
rplibs.insert(0,
"-lfftw%(suff)s_mpi -lfftw%(suff)s" % {'suff': suff})
else:
rplibs.append(os.getenv('LIBFFT'))
rplibs = ' '.join(rplibs)
d = {
'FC': '%s %s' % (os.getenv('F90'), os.getenv('FFLAGS')),
'MPF': "%s %s" % (os.getenv('MPIF90'), os.getenv('FFLAGS')),
'CC': os.getenv('CC'),
'LDFLAGS': '$(FOPT) %s ' % os.getenv('LDFLAGS'),
'R_LIBS': rlibs, # libraries for 'real' (not 'complex') binary
'RP_LIBS': rplibs, # libraries for 'real' parallel binary
'MPIRUN': '',
}
for line in fileinput.input(self.cfgscript, inplace=1, backup='.orig'):
# set config parameters
for (k, v) in d.items():
regexp = re.compile('^([a-z0-9]+):%s:.*' % k)
res = regexp.search(line)
if res:
# we need to exclude the lines with 'current', otherwise we break the script
if not res.group(1) == "current":
line = regexp.sub('\\1:%s:%s' % (k, v), line)
# avoid exit code > 0 at end of configuration
line = re.sub('(\s+)exit 1', '\\1exit 0', line)
sys.stdout.write(line)
# set correct compilers
env.setvar('bin', os.getcwd())
dc = {
'COMPILERC': os.getenv('CC'),
'COMPILER': os.getenv('F90'),
'COMPILERP': os.getenv('MPIF90'),
}
for (k, v) in dc.items():
write_file(k, v)
# configure with patched configure script
self.log.debug('%s part I (configure)' % self.cfgscript)
cmd = "./%s" % self.cfgscript
qanda = {
'Press RETURN to continue': '',
'Your compiler:': '',
'Hit Enter to continue': '',
'Remote shell (default is ssh) =': '',
'and you need to know details about your installed mpi ..) (y/n)':
'y',
'Q to quit Selection:': 'Q',
'A Compile all programs (suggested) Q Quit Selection:': 'Q',
' Please enter the full path of the perl program: ': '',
'continue or stop (c/s)': 'c',
'(like taskset -c). Enter N / your_specific_command:': 'N',
}
if LooseVersion(self.version) >= LooseVersion("13"):
fftw_root = get_software_root('FFTW')
if fftw_root:
fftw_maj = get_software_version('FFTW').split('.')[0]
fftw_spec = 'FFTW%s' % fftw_maj
else:
raise EasyBuildError("Required FFTW dependency is missing")
qanda.update({
'(not updated) Selection:':
comp_answer,
'Shared Memory Architecture? (y/N):':
'N',
'Set MPI_REMOTE to 0 / 1:':
'0',
'You need to KNOW details about your installed MPI and FFTW ) (y/n)':
'y',
'Please specify whether you want to use FFTW3 (default) or FFTW2 (FFTW3 / FFTW2):':
fftw_spec,
'Please specify the ROOT-path of your FFTW installation (like /opt/fftw3):':
fftw_root,
'is this correct? enter Y (default) or n:':
'Y',
})
else:
qanda.update({
'compiler) Selection:': comp_answer,
'Shared Memory Architecture? (y/n):': 'n',
'If you are using mpi2 set MPI_REMOTE to 0 Set MPI_REMOTE to 0 / 1:': '0',
'Do you have MPI and Scalapack installed and intend to run ' \
'finegrained parallel? (This is usefull only for BIG cases ' \
'(50 atoms and more / unit cell) and you need to know details ' \
'about your installed mpi and fftw ) (y/n)': 'y',
})
no_qa = [
'You have the following mkl libraries in %s :' %
os.getenv('MKLROOT'),
"%s[ \t]*.*" % os.getenv('MPIF90'),
"%s[ \t]*.*" % os.getenv('F90'),
"%s[ \t]*.*" % os.getenv('CC'),
".*SRC_.*",
"Please enter the full path of the perl program:",
]
std_qa = {
r'S\s+Save and Quit[\s\n]+To change an item select option.[\s\n]+Selection:':
'S',
'Recommended setting for parallel f90 compiler: .* Current selection: Your compiler:':
os.getenv('MPIF90'),
}
run_cmd_qa(cmd,
qanda,
no_qa=no_qa,
std_qa=std_qa,
log_all=True,
simple=True)
# post-configure patches
parallel_options = {}
parallel_options_fp = os.path.join(self.cfg['start_dir'],
'parallel_options')
if self.cfg['wien_mpirun']:
parallel_options.update({'WIEN_MPIRUN': self.cfg['wien_mpirun']})
if self.cfg['taskset'] is None:
self.cfg['taskset'] = 'no'
parallel_options.update({'TASKSET': self.cfg['taskset']})
for opt in ['use_remote', 'mpi_remote', 'wien_granularity']:
parallel_options.update({opt.upper(): int(self.cfg[opt])})
write_file(
parallel_options_fp, '\n'.join(
['setenv %s "%s"' % tup for tup in parallel_options.items()]))
if self.cfg['remote']:
if self.cfg['remote'] == 'pbsssh':
extratxt = '\n'.join([
'',
"set remote = pbsssh",
"setenv PBSSSHENV 'LD_LIBRARY_PATH PATH'",
'',
])
write_file(parallel_options_fp, extratxt, append=True)
else:
raise EasyBuildError("Don't know how to handle remote %s",
self.cfg['remote'])
self.log.debug("Patched file %s: %s", parallel_options_fp,
read_file(parallel_options_fp))
def mpi_cmd_for(self, cmd, nr_ranks):
"""Construct an MPI command for the given command and number of ranks."""
# parameter values for mpirun command
params = {
'nr_ranks': nr_ranks,
'cmd': cmd,
}
# different known mpirun commands
mpirun_n_cmd = "mpirun -n %(nr_ranks)d %(cmd)s"
mpi_cmds = {
toolchain.OPENMPI: mpirun_n_cmd, # @UndefinedVariable
toolchain.QLOGICMPI: "mpirun -H localhost -np %(nr_ranks)d %(cmd)s", # @UndefinedVariable
toolchain.INTELMPI: "mpirun %(mpdbf)s %(nodesfile)s -np %(nr_ranks)d %(cmd)s", # @UndefinedVariable
toolchain.MVAPICH2: mpirun_n_cmd, # @UndefinedVariable
toolchain.MPICH: mpirun_n_cmd, # @UndefinedVariable
toolchain.MPICH2: mpirun_n_cmd, # @UndefinedVariable
}
mpi_family = self.mpi_family()
# Intel MPI mpirun needs more work
if mpi_family == toolchain.INTELMPI: # @UndefinedVariable
# set temporary dir for mdp
# note: this needs to be kept *short*, to avoid mpirun failing with "socket.error: AF_UNIX path too long"
# exact limit is unknown, but ~20 characters seems to be OK
env.setvar('I_MPI_MPD_TMPDIR', tempfile.gettempdir())
mpd_tmpdir = os.environ['I_MPI_MPD_TMPDIR']
if len(mpd_tmpdir) > 20:
self.log.warning("$I_MPI_MPD_TMPDIR should be (very) short to avoid problems: %s" % mpd_tmpdir)
# temporary location for mpdboot and nodes files
tmpdir = tempfile.mkdtemp(prefix='mpi_cmd_for-')
# set PBS_ENVIRONMENT, so that --file option for mpdboot isn't stripped away
env.setvar('PBS_ENVIRONMENT', "PBS_BATCH_MPI")
# make sure we're always using mpd as process manager
# only required for/picked up by Intel MPI v4.1 or higher, no harm done for others
env.setvar('I_MPI_PROCESS_MANAGER', 'mpd')
# create mpdboot file
fn = os.path.join(tmpdir, 'mpdboot')
try:
if os.path.exists(fn):
os.remove(fn)
write_file(fn, "localhost ifhn=localhost")
except OSError, err:
raise EasyBuildError("Failed to create file %s: %s", fn, err)
params.update({'mpdbf': "--file=%s" % fn})
# create nodes file
fn = os.path.join(tmpdir, 'nodes')
try:
if os.path.exists(fn):
os.remove(fn)
write_file(fn, "localhost\n" * nr_ranks)
except OSError, err:
raise EasyBuildError("Failed to create file %s: %s", fn, err)
def get_system_libs(self):
"""
Get list of dependencies for $TF_SYSTEM_LIBS
Returns a tuple of lists: $TF_SYSTEM_LIBS names, include paths, library paths
"""
dependency_mapping, python_mapping = get_system_libs_for_version(
self.version)
# Some TF dependencies require both a (usually C++) dependency and a Python package
deps_with_python_pkg = set(tf_name
for tf_name in dependency_mapping.values()
if tf_name in python_mapping.values())
system_libs = []
cpaths = []
libpaths = []
ignored_system_deps = []
# Check direct dependencies
dep_names = set(dep['name'] for dep in self.cfg.dependencies())
for dep_name, tf_name in sorted(dependency_mapping.items(),
key=lambda i: i[0].lower()):
if dep_name in dep_names:
if tf_name in deps_with_python_pkg:
pkg_name = next(cur_pkg_name for cur_pkg_name, cur_tf_name
in python_mapping.items()
if cur_tf_name == tf_name)
# Simply ignore. Error reporting is done in the other loop
if not self.python_pkg_exists(pkg_name):
continue
system_libs.append(tf_name)
# When using cURL (which uses the system OpenSSL), we also need to use "boringssl"
# which essentially resolves to using OpenSSL as the API and library names are compatible
if dep_name == 'cURL':
system_libs.append('boringssl')
sw_root = get_software_root(dep_name)
# Dependency might be filtered via --filter-deps. In that case assume globally installed version
if not sw_root:
continue
incpath = os.path.join(sw_root, 'include')
if os.path.exists(incpath):
cpaths.append(incpath)
if dep_name == 'JsonCpp' and LooseVersion(
self.version) < LooseVersion('2.3'):
# Need to add the install prefix or patch the sources:
# https://github.com/tensorflow/tensorflow/issues/42303
cpaths.append(sw_root)
if dep_name == 'protobuf':
if LooseVersion(self.version) < LooseVersion('2.4'):
# Need to set INCLUDEDIR as TF wants to symlink files from there:
# https://github.com/tensorflow/tensorflow/issues/37835
env.setvar('INCLUDEDIR', incpath)
else:
env.setvar('PROTOBUF_INCLUDE_PATH', incpath)
libpath = get_software_libdir(dep_name)
if libpath:
libpaths.append(os.path.join(sw_root, libpath))
else:
ignored_system_deps.append('%s (Dependency %s)' %
(tf_name, dep_name))
for pkg_name, tf_name in sorted(python_mapping.items(),
key=lambda i: i[0].lower()):
if self.python_pkg_exists(pkg_name):
# If it is in deps_with_python_pkg we already added it
if tf_name not in deps_with_python_pkg:
system_libs.append(tf_name)
else:
ignored_system_deps.append('%s (Python package %s)' %
(tf_name, pkg_name))
if ignored_system_deps:
self.log.warning(
'For the following $TF_SYSTEM_LIBS dependencies TensorFlow will download a copy '
+ 'because an EB dependency was not found: \n%s\n' +
'EC Dependencies: %s\n' + 'Installed Python packages: %s\n',
', '.join(ignored_system_deps), ', '.join(dep_names),
', '.join(self.get_installed_python_packages()))
else:
self.log.info(
"All known TensorFlow $TF_SYSTEM_LIBS dependencies resolved via EasyBuild!"
)
return system_libs, cpaths, libpaths
def test_cases_step(self):
# Make PyTorch tests not use the user home
env.setvar('XDG_CACHE_HOME', os.path.join(self.tmpdir, '.cache'))
super(EB_PyTorch, self).test_cases_step()
def configure_step(self):
"""Apply the necessary CMake config opts."""
if LooseVersion(self.version) < LooseVersion('19'):
# Configuring Amber <19 is done in install step.
return
# CMake will search a previous install directory for Amber-compiled libs. We will therefore
# manually remove the install directory prior to configuration.
remove_dir(self.installdir)
external_libs_list = []
mpiroot = get_software_root(self.toolchain.MPI_MODULE_NAME[0])
if mpiroot and self.toolchain.options.get('usempi', None):
self.with_mpi = True
self.cfg.update('configopts', '-DMPI=TRUE')
if self.toolchain.options.get('openmp', None):
self.cfg.update('configopts', '-DOPENMP=TRUE')
cudaroot = get_software_root('CUDA')
if cudaroot:
self.with_cuda = True
self.cfg.update('configopts', '-DCUDA=TRUE')
if get_software_root('NCCL'):
self.cfg.update('configopts', '-DNCCL=TRUE')
external_libs_list.append('nccl')
pythonroot = get_software_root('Python')
if pythonroot:
self.cfg.update('configopts', '-DDOWNLOAD_MINICONDA=FALSE')
self.cfg.update(
'configopts', '-DPYTHON_EXECUTABLE=%s' %
os.path.join(pythonroot, 'bin', 'python'))
self.pylibdir = det_pylibdir()
pythonpath = os.environ.get('PYTHONPATH', '')
env.setvar(
'PYTHONPATH',
os.pathsep.join(
[os.path.join(self.installdir, self.pylibdir),
pythonpath]))
if get_software_root('FFTW'):
external_libs_list.append('fftw')
if get_software_root('netCDF'):
external_libs_list.append('netcdf')
if get_software_root('netCDF-Fortran'):
external_libs_list.append('netcdf-fortran')
if get_software_root('zlib'):
external_libs_list.append('zlib')
if get_software_root('Boost'):
external_libs_list.append('boost')
if get_software_root('PnetCDF'):
external_libs_list.append('pnetcdf')
# Force libs for available deps (see cmake/3rdPartyTools.cmake in Amber source for list of 3rd party libs)
# This provides an extra layer of checking but should already be handled by TRUST_SYSTEM_LIBS=TRUE
external_libs = ";".join(external_libs_list)
self.cfg.update('configopts',
"-DFORCE_EXTERNAL_LIBS='%s'" % external_libs)
if get_software_root('FFTW') or get_software_root('imkl'):
self.cfg.update('configopts', '-DUSE_FFT=TRUE')
# Set standard compile options
self.cfg.update('configopts', '-DCHECK_UPDATES=FALSE')
self.cfg.update('configopts', '-DAPPLY_UPDATES=FALSE')
self.cfg.update('configopts', '-DTRUST_SYSTEM_LIBS=TRUE')
self.cfg.update('configopts', '-DCOLOR_CMAKE_MESSAGES=FALSE')
# Amber recommend running the tests from the sources, rather than putting in installation dir
# due to size. We handle tests under the install step
self.cfg.update('configopts', '-DINSTALL_TESTS=FALSE')
self.cfg.update('configopts', '-DCOMPILER=AUTO')
# configure using cmake
super(EB_Amber, self).configure_step()
def build_step(self):
"""Custom build procedure for TensorFlow."""
# pre-create target installation directory
mkdir(os.path.join(self.installdir, self.pylibdir), parents=True)
# This seems to be no longer required since at least 2.0, likely also for older versions
if LooseVersion(self.version) < LooseVersion('2.0'):
self.patch_crosstool_files()
# compose "bazel build" command with all its options...
cmd = [
self.cfg['prebuildopts'],
'bazel',
'--output_base=%s' % self.output_base_dir,
'--install_base=%s' % self.install_base_dir,
'--output_user_root=%s' % self.output_user_root_dir,
'build',
]
# build with optimization enabled
# cfr. https://docs.bazel.build/versions/master/user-manual.html#flag--compilation_mode
cmd.append('--compilation_mode=opt')
# select 'opt' config section (this is *not* the same as --compilation_mode=opt!)
# https://docs.bazel.build/versions/master/user-manual.html#flag--config
cmd.append('--config=opt')
# make Bazel print full command line + make it verbose on failures
# https://docs.bazel.build/versions/master/user-manual.html#flag--subcommands
# https://docs.bazel.build/versions/master/user-manual.html#flag--verbose_failures
cmd.extend(['--subcommands', '--verbose_failures'])
# Disable support of AWS platform via config switch introduced in 1.12.1
if LooseVersion(self.version) >= LooseVersion('1.12.1'):
cmd.append('--config=noaws')
# Bazel seems to not be able to handle a large amount of parallel jobs, e.g. 176 on some Power machines,
# and will hang forever building the TensorFlow package.
# So limit to something high but still reasonable while allowing ECs to overwrite it
parallel = self.cfg['parallel']
if self.cfg['maxparallel'] is None:
parallel = min(parallel, 64)
cmd.append('--jobs=%s' % parallel)
if self.toolchain.options.get('pic', None):
cmd.append('--copt="-fPIC"')
# include install location of Python packages in $PYTHONPATH,
# and specify that value of $PYTHONPATH should be passed down into Bazel build environment;
# this is required to make sure that Python packages included as extensions are found at build time;
# see also https://github.com/tensorflow/tensorflow/issues/22395
pythonpath = os.getenv('PYTHONPATH', '')
env.setvar(
'PYTHONPATH',
os.pathsep.join(
[os.path.join(self.installdir, self.pylibdir), pythonpath]))
# Make TF find our modules. LD_LIBRARY_PATH gets automatically added by configure.py
cpaths, libpaths = self.system_libs_info[1:]
if cpaths:
cmd.append("--action_env=CPATH='%s'" % ':'.join(cpaths))
if libpaths:
cmd.append("--action_env=LIBRARY_PATH='%s'" % ':'.join(libpaths))
cmd.append('--action_env=PYTHONPATH')
# Also export $EBPYTHONPREFIXES to handle the multi-deps python setup
# See https://github.com/easybuilders/easybuild-easyblocks/pull/1664
if 'EBPYTHONPREFIXES' in os.environ:
cmd.append('--action_env=EBPYTHONPREFIXES')
# Ignore user environment for Python
cmd.append('--action_env=PYTHONNOUSERSITE=1')
# use same configuration for both host and target programs, which can speed up the build
# only done when optarch is enabled, since this implicitely assumes that host and target platform are the same
# see https://docs.bazel.build/versions/master/guide.html#configurations
if self.toolchain.options.get('optarch'):
cmd.append('--distinct_host_configuration=false')
cmd.append(self.cfg['buildopts'])
# TF 2 (final) sets this in configure
if LooseVersion(self.version) < LooseVersion('2.0'):
if get_software_root('CUDA'):
cmd.append('--config=cuda')
# if mkl-dnn is listed as a dependency it is used. Otherwise downloaded if with_mkl_dnn is true
mkl_root = get_software_root('mkl-dnn')
if mkl_root:
cmd.extend(['--config=mkl'])
cmd.insert(0, "export TF_MKL_DOWNLOAD=0 &&")
cmd.insert(0, "export TF_MKL_ROOT=%s &&" % mkl_root)
elif self.cfg['with_mkl_dnn']:
# this makes TensorFlow use mkl-dnn (cfr. https://github.com/01org/mkl-dnn)
cmd.extend(['--config=mkl'])
cmd.insert(0, "export TF_MKL_DOWNLOAD=1 && ")
# specify target of the build command as last argument
cmd.append('//tensorflow/tools/pip_package:build_pip_package')
run_cmd(' '.join(cmd), log_all=True, simple=True, log_ok=True)
# run generated 'build_pip_package' script to build the .whl
cmd = "bazel-bin/tensorflow/tools/pip_package/build_pip_package %s" % self.builddir
run_cmd(cmd, log_all=True, simple=True, log_ok=True)
def configure_step(self):
"""Configure numpy build by composing site.cfg contents."""
# see e.g. https://github.com/numpy/numpy/pull/2809/files
self.sitecfg = '\n'.join([
"[DEFAULT]",
"library_dirs = %(libs)s",
"include_dirs= %(includes)s",
"search_static_first=True",
])
if get_software_root("imkl"):
if self.toolchain.comp_family() == toolchain.GCC:
# see https://software.intel.com/en-us/articles/numpyscipy-with-intel-mkl,
# section Building with GNU Compiler chain
extrasiteconfig = '\n'.join([
"[mkl]",
"lapack_libs = ",
"mkl_libs = mkl_rt",
])
else:
extrasiteconfig = '\n'.join([
"[mkl]",
"lapack_libs = %(lapack)s",
"mkl_libs = %(blas)s",
])
else:
# [atlas] the only real alternative, even for non-ATLAS BLAS libs (e.g., OpenBLAS, ACML, ...)
# using only the [blas] and [lapack] sections results in sub-optimal builds that don't provide _dotblas.so;
# it does require a CBLAS interface to be available for the BLAS library being used
# e.g. for ACML, the CBLAS module providing a C interface needs to be used
extrasiteconfig = '\n'.join([
"[atlas]",
"atlas_libs = %(lapack)s",
"[lapack]",
"lapack_libs = %(lapack)s", # required by scipy, that uses numpy's site.cfg
])
blas = None
lapack = None
fft = None
if get_software_root("imkl"):
# with IMKL, no spaces and use '-Wl:'
# redefine 'Wl,' to 'Wl:' so that the patch file can do its job
def get_libs_for_mkl(varname):
"""Get list of libraries as required for MKL patch file."""
libs = self.toolchain.variables['LIB%s' % varname].copy()
libs.try_remove(['pthread', 'dl'])
tweaks = {
'prefix': '',
'prefix_begin_end': '-Wl:',
'separator': ',',
'separator_begin_end': ',',
}
libs.try_function_on_element('change', kwargs=tweaks)
libs.SEPARATOR = ','
return str(
libs
) # str causes list concatenation and adding prefixes & separators
blas = get_libs_for_mkl('BLAS_MT')
lapack = get_libs_for_mkl('LAPACK_MT')
fft = get_libs_for_mkl('FFT')
# make sure the patch file is there
# we check for a typical characteristic of a patch file that cooperates with the above
# not fool-proof, but better than enforcing a particular patch filename
patch_found = False
patch_wl_regex = re.compile(r"replace\(':',\s*','\)")
for patch in self.patches:
# patches are either strings (extension) or dicts (easyblock)
if isinstance(patch, dict):
patch = patch['path']
if patch_wl_regex.search(read_file(patch)):
patch_found = True
break
if not patch_found:
raise EasyBuildError(
"Building numpy on top of Intel MKL requires a patch to "
"handle -Wl linker flags correctly, which doesn't seem to be there."
)
else:
# unless Intel MKL is used, $ATLAS should be set to take full control,
# and to make sure a fully optimized version is built, including _dotblas.so
# which is critical for decent performance of the numpy.dot (matrix dot product) function!
env.setvar('ATLAS', '1')
lapack = ', '.join([
x
for x in self.toolchain.get_variable('LIBLAPACK_MT', typ=list)
if x != "pthread"
])
fft = ', '.join(self.toolchain.get_variable('LIBFFT', typ=list))
libs = ':'.join(self.toolchain.get_variable('LDFLAGS', typ=list))
includes = ':'.join(self.toolchain.get_variable('CPPFLAGS', typ=list))
# CBLAS is required for ACML, because it doesn't offer a C interface to BLAS
if get_software_root('ACML'):
cblasroot = get_software_root('CBLAS')
if cblasroot:
lapack = ', '.join([lapack, "cblas"])
cblaslib = os.path.join(cblasroot, 'lib')
# with numpy as extension, CBLAS might not be included in LDFLAGS because it's not part of a toolchain
if cblaslib not in libs:
libs = ':'.join([libs, cblaslib])
else:
raise EasyBuildError(
"CBLAS is required next to ACML to provide a C interface to BLAS, "
"but it's not loaded.")
if fft:
extrasiteconfig += "\n[fftw]\nlibraries = %s" % fft
suitesparseroot = get_software_root('SuiteSparse')
if suitesparseroot:
amddir = os.path.join(suitesparseroot, 'AMD')
umfpackdir = os.path.join(suitesparseroot, 'UMFPACK')
if not os.path.exists(amddir) or not os.path.exists(umfpackdir):
raise EasyBuildError(
"Expected SuiteSparse subdirectories are not both there: %s, %s",
amddir, umfpackdir)
else:
extrasiteconfig += '\n'.join([
"[amd]",
"library_dirs = %s" % os.path.join(amddir, 'Lib'),
"include_dirs = %s" % os.path.join(amddir, 'Include'),
"amd_libs = amd",
"[umfpack]",
"library_dirs = %s" % os.path.join(umfpackdir, 'Lib'),
"include_dirs = %s" % os.path.join(umfpackdir, 'Include'),
"umfpack_libs = umfpack",
])
self.sitecfg = '\n'.join([self.sitecfg, extrasiteconfig])
self.sitecfg = self.sitecfg % {
'blas': blas,
'lapack': lapack,
'libs': libs,
'includes': includes,
}
super(EB_numpy, self).configure_step()
# check configuration (for debugging purposes)
cmd = "%s setup.py config" % self.python_cmd
run_cmd(cmd, log_all=True, simple=True)
def prepare_rpath_wrappers(self,
rpath_filter_dirs=None,
rpath_include_dirs=None):
"""
Put RPATH wrapper script in place for compiler and linker commands
:param rpath_filter_dirs: extra directories to include in RPATH filter (e.g. build dir, tmpdir, ...)
"""
self.log.experimental(
"Using wrapper scripts for compiler/linker commands that enforce RPATH linking"
)
if get_os_type() == LINUX:
self.log.info("Putting RPATH wrappers in place...")
else:
raise EasyBuildError(
"RPATH linking is currently only supported on Linux")
wrapper_dir = os.path.join(tempfile.mkdtemp(), RPATH_WRAPPERS_SUBDIR)
# must also wrap compilers commands, required e.g. for Clang ('gcc' on OS X)?
c_comps, fortran_comps = self.compilers()
rpath_args_py = find_eb_script('rpath_args.py')
rpath_wrapper_template = find_eb_script('rpath_wrapper_template.sh.in')
# prepend location to wrappers to $PATH
setvar('PATH', '%s:%s' % (wrapper_dir, os.getenv('PATH')))
# figure out list of patterns to use in rpath filter
rpath_filter = build_option('rpath_filter')
if rpath_filter is None:
rpath_filter = ['/lib.*', '/usr.*']
self.log.debug(
"No general RPATH filter specified, falling back to default: %s",
rpath_filter)
rpath_filter = ','.join(rpath_filter +
['%s.*' % d for d in rpath_filter_dirs or []])
self.log.debug("Combined RPATH filter: '%s'", rpath_filter)
rpath_include = ','.join(rpath_include_dirs or [])
self.log.debug("Combined RPATH include paths: '%s'", rpath_include)
# create wrappers
for cmd in nub(c_comps + fortran_comps + ['ld', 'ld.gold', 'ld.bfd']):
orig_cmd = which(cmd)
if orig_cmd:
# bail out early if command already is a wrapped;
# this may occur when building extensions
if self.is_rpath_wrapper(orig_cmd):
self.log.info(
"%s already seems to be an RPATH wrapper script, not wrapping it again!",
orig_cmd)
continue
cmd_wrapper = os.path.join(wrapper_dir, cmd)
# make *very* sure we don't wrap around ourselves and create a fork bomb...
if os.path.exists(cmd_wrapper) and os.path.exists(
orig_cmd) and os.path.samefile(orig_cmd, cmd_wrapper):
raise EasyBuildError(
"Refusing the create a fork bomb, which(%s) == %s",
cmd, orig_cmd)
# enable debug mode in wrapper script by specifying location for log file
if build_option('debug'):
rpath_wrapper_log = os.path.join(
tempfile.gettempdir(), 'rpath_wrapper_%s.log' % cmd)
else:
rpath_wrapper_log = '/dev/null'
# complete template script and put it in place
cmd_wrapper_txt = read_file(rpath_wrapper_template) % {
'orig_cmd': orig_cmd,
'python': sys.executable,
'rpath_args_py': rpath_args_py,
'rpath_filter': rpath_filter,
'rpath_include': rpath_include,
'rpath_wrapper_log': rpath_wrapper_log,
}
write_file(cmd_wrapper, cmd_wrapper_txt)
adjust_permissions(cmd_wrapper, stat.S_IXUSR)
self.log.info("Wrapper script for %s: %s (log: %s)", orig_cmd,
which(cmd), rpath_wrapper_log)
else:
self.log.debug(
"Not installing RPATH wrapper for non-existing command '%s'",
cmd)
def build_step(self):
if self.iter_idx > 0:
# call standard build_step for nvptx-tools and nvptx GCC
return super(EB_GCC, self).build_step()
if self.stagedbuild:
# make and install stage 1 build of GCC
paracmd = ''
if self.cfg['parallel']:
paracmd = "-j %s" % self.cfg['parallel']
cmd = "%s make %s %s" % (self.cfg['prebuildopts'], paracmd,
self.cfg['buildopts'])
run_cmd(cmd, log_all=True, simple=True)
cmd = "make install %s" % (self.cfg['installopts'])
run_cmd(cmd, log_all=True, simple=True)
# register built GCC as compiler to use for stage 2/3
path = "%s/bin:%s" % (self.stage1installdir, os.getenv('PATH'))
env.setvar('PATH', path)
ld_lib_path = "%(dir)s/lib64:%(dir)s/lib:%(val)s" % {
'dir': self.stage1installdir,
'val': os.getenv('LD_LIBRARY_PATH')
}
env.setvar('LD_LIBRARY_PATH', ld_lib_path)
#
# STAGE 2: build GMP/PPL/CLooG for stage 3
#
# create dir to build GMP/PPL/CLooG in
stage2dir = "stage2_stuff"
stage2prefix = self.create_dir(stage2dir)
# prepare directories to build GMP/PPL/CLooG
stage2_info = self.prep_extra_src_dirs("stage2",
target_prefix=stage2prefix)
configopts = stage2_info['configopts']
# build PPL and CLooG (GMP as dependency)
for lib in ["gmp"] + self.with_dirs:
self.log.debug("Building %s in stage 2" % lib)
if lib == "gmp" or self.cfg['with%s' % lib]:
libdir = os.path.join(stage2prefix, lib)
try:
os.chdir(libdir)
except OSError as err:
raise EasyBuildError("Failed to change to %s: %s",
libdir, err)
if lib == "gmp":
cmd = "./configure --prefix=%s " % stage2prefix
cmd += "--with-pic --disable-shared --enable-cxx "
# ensure generic build when 'generic' is set to True or when --optarch=GENERIC is used
# non-generic build can be enforced with generic=False if --optarch=GENERIC is used
optarch_generic = build_option(
'optarch') == OPTARCH_GENERIC
if self.cfg['generic'] or (optarch_generic
and self.cfg['generic']
is not False):
cmd += "--enable-fat "
elif lib == "ppl":
self.pplver = LooseVersion(
stage2_info['versions']['ppl'])
cmd = "./configure --prefix=%s --with-pic -disable-shared " % stage2prefix
# only enable C/C++ interfaces (Java interface is sometimes troublesome)
cmd += "--enable-interfaces='c c++' "
# enable watchdog (or not)
if self.pplver <= LooseVersion("0.11"):
if self.cfg['pplwatchdog']:
cmd += "--enable-watchdog "
else:
cmd += "--disable-watchdog "
elif self.cfg['pplwatchdog']:
raise EasyBuildError(
"Enabling PPL watchdog only supported in PPL <= v0.11 ."
)
# make sure GMP we just built is found
cmd += "--with-gmp=%s " % stage2prefix
elif lib == "isl":
cmd = "./configure --prefix=%s --with-pic --disable-shared " % stage2prefix
cmd += "--with-gmp=system --with-gmp-prefix=%s " % stage2prefix
# ensure generic build when 'generic' is set to True or when --optarch=GENERIC is used
# non-generic build can be enforced with generic=False if --optarch=GENERIC is used
optarch_generic = build_option(
'optarch') == OPTARCH_GENERIC
if self.cfg['generic'] or (optarch_generic
and self.cfg['generic']
is not False):
cmd += "--without-gcc-arch "
elif lib == "cloog":
self.cloogname = stage2_info['names']['cloog']
self.cloogver = LooseVersion(
stage2_info['versions']['cloog'])
v0_15 = LooseVersion("0.15")
v0_16 = LooseVersion("0.16")
cmd = "./configure --prefix=%s --with-pic --disable-shared " % stage2prefix
# use ISL or PPL
if self.cfg['clooguseisl']:
if self.cfg['withisl']:
self.log.debug("Using external ISL for CLooG")
cmd += "--with-isl=system --with-isl-prefix=%s " % stage2prefix
elif self.cloogver >= v0_16:
self.log.debug("Using bundled ISL for CLooG")
cmd += "--with-isl=bundled "
else:
raise EasyBuildError(
"Using ISL is only supported in CLooG >= v0.16 (detected v%s).",
self.cloogver)
else:
if self.cloogname == "cloog-ppl" and self.cloogver >= v0_15 and self.cloogver < v0_16:
cmd += "--with-ppl=%s " % stage2prefix
else:
errormsg = "PPL only supported with CLooG-PPL v0.15.x (detected v%s)" % self.cloogver
errormsg += "\nNeither using PPL or ISL-based ClooG, I'm out of options..."
raise EasyBuildError(errormsg)
# make sure GMP is found
if self.cloogver >= v0_15 and self.cloogver < v0_16:
cmd += "--with-gmp=%s " % stage2prefix
elif self.cloogver >= v0_16:
cmd += "--with-gmp=system --with-gmp-prefix=%s " % stage2prefix
else:
raise EasyBuildError(
"Don't know how to specify location of GMP to configure of CLooG v%s.",
self.cloogver)
else:
raise EasyBuildError(
"Don't know how to configure for %s", lib)
# configure
self.run_configure_cmd(cmd)
# build and 'install'
cmd = "make %s" % paracmd
run_cmd(cmd, log_all=True, simple=True)
cmd = "make install"
run_cmd(cmd, log_all=True, simple=True)
if lib == "gmp":
# make sure correct GMP is found
libpath = os.path.join(stage2prefix, 'lib')
incpath = os.path.join(stage2prefix, 'include')
cppflags = os.getenv('CPPFLAGS', '')
env.setvar(
'CPPFLAGS',
"%s -L%s -I%s " % (cppflags, libpath, incpath))
#
# STAGE 3: bootstrap build of final GCC (with PPL/CLooG support)
#
# create new obj dir and change into it
self.create_dir("stage3_obj")
# reconfigure for stage 3 build
self.log.info(
"Stage 2 of 3-staged build completed, continuing with stage 3 "
"(with CLooG and/or PPL, ISL support enabled)...")
stage3_info = self.prep_extra_src_dirs("stage3")
configopts = stage3_info['configopts']
configopts += " --prefix=%(p)s --with-local-prefix=%(p)s" % {
'p': self.installdir
}
# enable bootstrapping for self-containment
configopts += " --enable-bootstrap "
# PPL config options
if self.cfg['withppl']:
# for PPL build and CLooG-PPL linking
for lib in ["lib64", "lib"]:
path = os.path.join(self.stage1installdir, lib,
"libstdc++.a")
if os.path.exists(path):
libstdcxxpath = path
break
configopts += "--with-host-libstdcxx='-static-libgcc %s -lm' " % libstdcxxpath
configopts += "--with-ppl=%s " % stage2prefix
if self.pplver <= LooseVersion("0.11"):
if self.cfg['pplwatchdog']:
configopts += "--enable-watchdog "
else:
configopts += "--disable-watchdog "
# CLooG config options
if self.cfg['withcloog']:
configopts += "--with-cloog=%s " % stage2prefix
gccver = LooseVersion(self.version)
if self.cfg['clooguseisl'] and self.cloogver >= LooseVersion(
'0.16') and gccver < LooseVersion('4.8.0'):
configopts += "--enable-cloog-backend=isl "
if self.cfg['withisl']:
configopts += "--with-isl=%s " % stage2prefix
# configure
cmd = "../configure %s %s" % (self.configopts, configopts)
self.run_configure_cmd(cmd)
# build with bootstrapping for self-containment
if self.cfg['profiled']:
self.cfg.update('buildopts', 'profiledbootstrap')
else:
self.cfg.update('buildopts', 'bootstrap')
# call standard build_step
super(EB_GCC, self).build_step()
'y'), # this one needs to be tried first!
(r'.*fortran 90 compiler name .*\s*:\n\(suggestions\s*: .*\)',
os.getenv('F90')),
(r'.*fortran 90 compiler interfaced with .*\s*:\n\(suggestions\s*: .*\)',
f90_seq),
(r'Please type the ABSOLUTE name of .*library.*, or ignore\s*[:]*\s*[\n]*.*',
''),
(r'Please .* to save this draft configuration file :\n.*',
'%s.x' % self.conf_file),
])
no_qa = [
".*ignored.",
]
env.setvar('GMKTMP', self.builddir)
env.setvar('GMKFILE', self.conf_file)
run_cmd_qa("gmkfilemaker", qa, std_qa=stdqa, no_qa=no_qa)
# set environment variables for installation dirs
env.setvar('ROOTPACK', os.path.join(self.installdir, 'rootpack'))
env.setvar('ROOTBIN', os.path.join(self.installdir, 'rootpack'))
env.setvar('HOMEPACK', os.path.join(self.installdir, 'pack'))
env.setvar('HOMEBIN', os.path.join(self.installdir, 'pack'))
def build_step(self):
"""No separate build procedure for ALADIN (see install_step)."""
pass
def configure_step(self):
"""
Configure for GCC build:
- prepare extra source dirs (GMP, MPFR, MPC, ...)
- create obj dir to build in (GCC doesn't like to be built in source dir)
- add configure and make options, according to .eb spec file
- decide whether or not to do a staged build (which is required to enable PPL/CLooG support)
- set platform_lib based on config.guess output
"""
sysroot = build_option('sysroot')
if sysroot:
# based on changes made to GCC in Gentoo Prefix
# https://gitweb.gentoo.org/repo/gentoo.git/tree/profiles/features/prefix/standalone/profile.bashrc
# add --with-sysroot configure option, to instruct GCC to consider
# value set for EasyBuild's --sysroot configuration option as the root filesystem of the operating system
# (see https://gcc.gnu.org/install/configure.html)
self.cfg.update('configopts', '--with-sysroot=%s' % sysroot)
# avoid that --sysroot is passed to linker by patching value for SYSROOT_SPEC in gcc/gcc.c
apply_regex_substitutions(os.path.join('gcc', 'gcc.c'),
[('--sysroot=%R', '')])
# prefix dynamic linkers with sysroot
# this patches lines like:
# #define GLIBC_DYNAMIC_LINKER64 "/lib64/ld-linux-x86-64.so.2"
gcc_config_headers = glob.glob(
os.path.join('gcc', 'config', '*', '*linux*.h'))
regex_subs = [('(_DYNAMIC_LINKER.*[":])/lib',
r'\1%s/lib' % sysroot)]
for gcc_config_header in gcc_config_headers:
apply_regex_substitutions(gcc_config_header, regex_subs)
# self.configopts will be reused in a 3-staged build,
# configopts is only used in first configure
self.configopts = self.cfg['configopts']
# I) prepare extra source dirs, e.g. for GMP, MPFR, MPC (if required), so GCC can build them
stage1_info = self.prep_extra_src_dirs("stage1")
configopts = stage1_info['configopts']
# II) update config options
# enable specified language support
if self.cfg['languages']:
self.configopts += " --enable-languages=%s" % ','.join(
self.cfg['languages'])
if self.cfg['withnvptx']:
if self.iter_idx == 0:
self.configopts += " --without-cuda-driver"
self.configopts += " --enable-offload-targets=nvptx-none"
else:
# register installed GCC as compiler to use nvptx
path = "%s/bin:%s" % (self.installdir, os.getenv('PATH'))
env.setvar('PATH', path)
ld_lib_path = "%(dir)s/lib64:%(dir)s/lib:%(val)s" % {
'dir': self.installdir,
'val': os.getenv('LD_LIBRARY_PATH')
}
env.setvar('LD_LIBRARY_PATH', ld_lib_path)
extra_source = {1: "nvptx-tools", 2: "newlib"}[self.iter_idx]
extra_source_dirs = glob.glob(
os.path.join(self.builddir, '%s-*' % extra_source))
if len(extra_source_dirs) != 1:
raise EasyBuildError("Failed to isolate %s source dir" %
extra_source)
if self.iter_idx == 1:
# compile nvptx-tools
change_dir(extra_source_dirs[0])
else: # self.iter_idx == 2
# compile nvptx target compiler
symlink(os.path.join(extra_source_dirs[0], 'newlib'),
'newlib')
self.create_dir("build-nvptx-gcc")
self.cfg.update('configopts', self.configopts)
self.cfg.update(
'configopts',
"--with-build-time-tools=%s/nvptx-none/bin" %
self.installdir)
self.cfg.update('configopts', "--target=nvptx-none")
host_type = self.determine_build_and_host_type()[1]
self.cfg.update(
'configopts',
"--enable-as-accelerator-for=%s" % host_type)
self.cfg.update('configopts', "--disable-sjlj-exceptions")
self.cfg.update('configopts',
"--enable-newlib-io-long-long")
self.cfg['configure_cmd_prefix'] = '../'
return super(EB_GCC, self).configure_step()
# enable building of libiberty, if desired
if self.cfg['withlibiberty']:
self.configopts += " --enable-install-libiberty"
# enable link-time-optimization (LTO) support, if desired
if self.cfg['withlto']:
self.configopts += " --enable-lto"
else:
self.configopts += " --disable-lto"
# configure for a release build
self.configopts += " --enable-checking=release "
# enable multilib: allow both 32 and 64 bit
if self.cfg['multilib']:
glibc_32bit = [
"glibc.i686", # Fedora, RedHat-based
"glibc.ppc", # "" on Power
"libc6-dev-i386", # Debian-based
"gcc-c++-32bit", # OpenSuSE, SLES
]
if not any([check_os_dependency(dep) for dep in glibc_32bit]):
raise EasyBuildError(
"Using multilib requires 32-bit glibc (install one of %s, depending on your OS)",
', '.join(glibc_32bit))
self.configopts += " --enable-multilib --with-multilib-list=m32,m64"
else:
self.configopts += " --disable-multilib"
# build both static and dynamic libraries (???)
self.configopts += " --enable-shared=yes --enable-static=yes "
# use POSIX threads
self.configopts += " --enable-threads=posix "
# enable plugin support
self.configopts += " --enable-plugins "
# use GOLD as default linker
if self.cfg['use_gold_linker']:
self.configopts += " --enable-gold=default --enable-ld --with-plugin-ld=ld.gold"
else:
self.configopts += " --enable-gold --enable-ld=default"
# enable bootstrap build for self-containment (unless for staged build)
if not self.stagedbuild:
configopts += " --enable-bootstrap"
else:
configopts += " --disable-bootstrap"
if self.stagedbuild:
#
# STAGE 1: configure GCC build that will be used to build PPL/CLooG
#
self.log.info(
"Starting with stage 1 of 3-staged build to enable CLooG and/or PPL, ISL support..."
)
self.stage1installdir = os.path.join(self.builddir,
'GCC_stage1_eb')
configopts += " --prefix=%(p)s --with-local-prefix=%(p)s" % {
'p': self.stage1installdir
}
else:
# unstaged build, so just run standard configure/make/make install
# set prefixes
self.log.info("Performing regular GCC build...")
configopts += " --prefix=%(p)s --with-local-prefix=%(p)s" % {
'p': self.installdir
}
# prioritize lib over lib{64,32,x32} for all architectures by overriding default MULTILIB_OSDIRNAMES config
# only do this when multilib is not enabled
if self.cfg['prefer_lib_subdir'] and not self.cfg['multilib']:
cfgfile = 'gcc/config/i386/t-linux64'
multilib_osdirnames = "MULTILIB_OSDIRNAMES = m64=../lib:../lib64 m32=../lib:../lib32 mx32=../lib:../libx32"
self.log.info("Patching MULTILIB_OSDIRNAMES in %s with '%s'",
cfgfile, multilib_osdirnames)
write_file(cfgfile, multilib_osdirnames, append=True)
elif self.cfg['multilib']:
self.log.info(
"Not patching MULTILIB_OSDIRNAMES since use of --enable-multilib is enabled"
)
# III) create obj dir to build in, and change to it
# GCC doesn't like to be built in the source dir
if self.stagedbuild:
objdir = self.create_dir("stage1_obj")
self.stage1prefix = objdir
else:
objdir = self.create_dir("obj")
# IV) actual configure, but not on default path
cmd = "../configure %s %s" % (self.configopts, configopts)
self.run_configure_cmd(cmd)
self.disable_lto_mpfr_old_gcc(objdir)
def configure_step(self):
"""Custom configure procedure for PyTorch."""
super(EB_PyTorch, self).configure_step()
# Gather default options. Will be checked against (and can be overwritten by) custom_opts
options = [
'PYTORCH_BUILD_VERSION=' + self.version, 'PYTORCH_BUILD_NUMBER=1'
]
# enable verbose mode when --debug is used (to show compiler commands)
if build_option('debug'):
options.append('VERBOSE=1')
# Restrict parallelism
options.append('MAX_JOBS=%s' % self.cfg['parallel'])
# BLAS Interface
if get_software_root('imkl'):
options.append('BLAS=MKL')
options.append('INTEL_MKL_DIR=$MKLROOT')
elif LooseVersion(self.version) >= LooseVersion(
'1.9.0') and get_software_root('BLIS'):
options.append('BLAS=BLIS')
options.append('BLIS_HOME=' + get_software_root('BLIS'))
options.append('USE_MKLDNN_CBLAS=ON')
elif get_software_root('OpenBLAS'):
# This is what PyTorch defaults to if no MKL is found.
# Make this explicit here to avoid it finding MKL from the system
options.append('BLAS=Eigen')
# Still need to set a BLAS lib to use.
# Valid choices: mkl/open/goto/acml/atlas/accelerate/veclib/generic (+blis for 1.9+)
options.append('WITH_BLAS=open')
# Make sure this option is actually passed to CMake
apply_regex_substitutions(
os.path.join('tools', 'setup_helpers', 'cmake.py'),
[("'BLAS',", "'BLAS', 'WITH_BLAS',")])
else:
raise EasyBuildError(
"Did not find a supported BLAS in dependencies. Don't know which BLAS lib to use"
)
available_dependency_options = EB_PyTorch.get_dependency_options_for_version(
self.version)
dependency_names = set(dep['name'] for dep in self.cfg.dependencies())
not_used_dep_names = []
for enable_opt, dep_name in available_dependency_options:
if dep_name is None:
continue
if dep_name in dependency_names:
options.append(enable_opt)
else:
not_used_dep_names.append(dep_name)
self.log.info(
'Did not enable options for the following dependencies as they are not used in the EC: %s',
not_used_dep_names)
# Use Infiniband by default
# you can disable this by including 'USE_IBVERBS=0' in 'custom_opts' in the easyconfig file
options.append('USE_IBVERBS=1')
if get_software_root('CUDA'):
options.append('USE_CUDA=1')
cudnn_root = get_software_root('cuDNN')
if cudnn_root:
options.append('CUDNN_LIB_DIR=' +
os.path.join(cudnn_root, 'lib64'))
options.append('CUDNN_INCLUDE_DIR=' +
os.path.join(cudnn_root, 'include'))
nccl_root = get_software_root('NCCL')
if nccl_root:
options.append('USE_SYSTEM_NCCL=1')
options.append('NCCL_INCLUDE_DIR=' +
os.path.join(nccl_root, 'include'))
# list of CUDA compute capabilities to use can be specifed in two ways (where (2) overrules (1)):
# (1) in the easyconfig file, via the custom cuda_compute_capabilities;
# (2) in the EasyBuild configuration, via --cuda-compute-capabilities configuration option;
cuda_cc = build_option('cuda_compute_capabilities'
) or self.cfg['cuda_compute_capabilities']
if not cuda_cc:
raise EasyBuildError(
'List of CUDA compute capabilities must be specified, either via '
'cuda_compute_capabilities easyconfig parameter or via '
'--cuda-compute-capabilities')
self.log.info(
'Compiling with specified list of CUDA compute capabilities: %s',
', '.join(cuda_cc))
# This variable is also used at runtime (e.g. for tests) and if it is not set PyTorch will automatically
# determine the compute capability of a GPU in the system and use that which may fail tests if
# it is to new for the used nvcc
env.setvar('TORCH_CUDA_ARCH_LIST', ';'.join(cuda_cc))
else:
# Disable CUDA
options.append('USE_CUDA=0')
if get_cpu_architecture() == POWER:
# *NNPACK is not supported on Power, disable to avoid warnings
options.extend([
'USE_NNPACK=0', 'USE_QNNPACK=0', 'USE_PYTORCH_QNNPACK=0',
'USE_XNNPACK=0'
])
# Metal only supported on IOS which likely doesn't work with EB, so disabled
options.append('USE_METAL=0')
unique_options = self.cfg['custom_opts']
for option in options:
name = option.split('=')[
0] + '=' # Include the equals sign to avoid partial matches
if not any(opt.startswith(name) for opt in unique_options):
unique_options.append(option)
self.cfg.update('prebuildopts', ' '.join(unique_options) + ' ')
self.cfg.update('preinstallopts', ' '.join(unique_options) + ' ')
def prepare_rpath_wrappers(self, rpath_filter_dirs=None, rpath_include_dirs=None):
"""
Put RPATH wrapper script in place for compiler and linker commands
:param rpath_filter_dirs: extra directories to include in RPATH filter (e.g. build dir, tmpdir, ...)
"""
if get_os_type() == LINUX:
self.log.info("Putting RPATH wrappers in place...")
else:
raise EasyBuildError("RPATH linking is currently only supported on Linux")
if rpath_filter_dirs is None:
rpath_filter_dirs = []
# always include filter for 'stubs' library directory,
# cfr. https://github.com/easybuilders/easybuild-framework/issues/2683
rpath_filter_dirs.append('.*/lib(64)?/stubs/?')
# directory where all wrappers will be placed
wrappers_dir = os.path.join(tempfile.mkdtemp(), RPATH_WRAPPERS_SUBDIR)
# must also wrap compilers commands, required e.g. for Clang ('gcc' on OS X)?
c_comps, fortran_comps = self.compilers()
rpath_args_py = find_eb_script('rpath_args.py')
rpath_wrapper_template = find_eb_script('rpath_wrapper_template.sh.in')
# figure out list of patterns to use in rpath filter
rpath_filter = build_option('rpath_filter')
if rpath_filter is None:
rpath_filter = ['/lib.*', '/usr.*']
self.log.debug("No general RPATH filter specified, falling back to default: %s", rpath_filter)
rpath_filter = ','.join(rpath_filter + ['%s.*' % d for d in rpath_filter_dirs])
self.log.debug("Combined RPATH filter: '%s'", rpath_filter)
rpath_include = ','.join(rpath_include_dirs or [])
self.log.debug("Combined RPATH include paths: '%s'", rpath_include)
# create wrappers
for cmd in nub(c_comps + fortran_comps + ['ld', 'ld.gold', 'ld.bfd']):
orig_cmd = which(cmd)
if orig_cmd:
# bail out early if command already is a wrapped;
# this may occur when building extensions
if self.is_rpath_wrapper(orig_cmd):
self.log.info("%s already seems to be an RPATH wrapper script, not wrapping it again!", orig_cmd)
continue
# determine location for this wrapper
# each wrapper is placed in its own subdirectory to enable $PATH filtering per wrapper separately
# avoid '+' character in directory name (for example with 'g++' command), which can cause trouble
# (see https://github.com/easybuilders/easybuild-easyconfigs/issues/7339)
wrapper_dir_name = '%s_wrapper' % cmd.replace('+', 'x')
wrapper_dir = os.path.join(wrappers_dir, wrapper_dir_name)
cmd_wrapper = os.path.join(wrapper_dir, cmd)
# make *very* sure we don't wrap around ourselves and create a fork bomb...
if os.path.exists(cmd_wrapper) and os.path.exists(orig_cmd) and os.path.samefile(orig_cmd, cmd_wrapper):
raise EasyBuildError("Refusing the create a fork bomb, which(%s) == %s", cmd, orig_cmd)
# enable debug mode in wrapper script by specifying location for log file
if build_option('debug'):
rpath_wrapper_log = os.path.join(tempfile.gettempdir(), 'rpath_wrapper_%s.log' % cmd)
else:
rpath_wrapper_log = '/dev/null'
# complete template script and put it in place
cmd_wrapper_txt = read_file(rpath_wrapper_template) % {
'orig_cmd': orig_cmd,
'python': sys.executable,
'rpath_args_py': rpath_args_py,
'rpath_filter': rpath_filter,
'rpath_include': rpath_include,
'rpath_wrapper_log': rpath_wrapper_log,
'wrapper_dir': wrapper_dir,
}
write_file(cmd_wrapper, cmd_wrapper_txt)
adjust_permissions(cmd_wrapper, stat.S_IXUSR)
self.log.info("Wrapper script for %s: %s (log: %s)", orig_cmd, which(cmd), rpath_wrapper_log)
# prepend location to this wrapper to $PATH
setvar('PATH', '%s:%s' % (wrapper_dir, os.getenv('PATH')))
else:
self.log.debug("Not installing RPATH wrapper for non-existing command '%s'", cmd)
def configure_step(self):
"""
Configure VMD for building.
"""
# make sure required dependencies are available
deps = {}
for dep in ['FLTK', 'Mesa', 'netCDF', 'Python', 'Tcl', 'Tk']:
deps[dep] = get_software_root(dep)
if deps[dep] is None:
raise EasyBuildError("Required dependency %s is missing", dep)
# optional dependencies
for dep in ['ACTC', 'CUDA', 'OptiX']:
deps[dep] = get_software_root(dep)
# specify Tcl/Tk locations & libraries
tclinc = os.path.join(deps['Tcl'], 'include')
tcllib = os.path.join(deps['Tcl'], 'lib')
env.setvar('TCL_INCLUDE_DIR', tclinc)
env.setvar('TCL_LIBRARY_DIR', tcllib)
env.setvar('TK_INCLUDE_DIR', os.path.join(deps['Tk'], 'include'))
env.setvar('TK_LIBRARY_DIR', os.path.join(deps['Tk'], 'lib'))
tclshortver = '.'.join(get_software_version('Tcl').split('.')[:2])
self.cfg.update('buildopts', 'TCLLDFLAGS="-ltcl%s"' % tclshortver)
# Netcdf locations
netcdfinc = os.path.join(deps['netCDF'], 'include')
netcdflib = os.path.join(deps['netCDF'], 'lib')
# Python locations
pyshortver = '.'.join(get_software_version('Python').split('.')[:2])
env.setvar('PYTHON_INCLUDE_DIR', os.path.join(deps['Python'], 'include/python%s' % pyshortver))
pylibdir = det_pylibdir()
python_libdir = os.path.join(deps['Python'], os.path.dirname(pylibdir))
env.setvar('PYTHON_LIBRARY_DIR', python_libdir)
# numpy include location, easiest way to determine it is via numpy.get_include()
out, ec = run_cmd("python -c 'import numpy; print numpy.get_include()'", simple=False)
if ec:
raise EasyBuildError("Failed to determine numpy include directory: %s", out)
else:
env.setvar('NUMPY_INCLUDE_DIR', out.strip())
# compiler commands
self.cfg.update('buildopts', 'CC="%s"' % os.getenv('CC'))
self.cfg.update('buildopts', 'CCPP="%s"' % os.getenv('CXX'))
# plugins need to be built first (see http://www.ks.uiuc.edu/Research/vmd/doxygen/compiling.html)
change_dir(os.path.join(self.builddir, 'plugins'))
cmd = ' '.join([
'make',
'LINUXAMD64',
"TCLINC='-I%s'" % tclinc,
"TCLLIB='-L%s'" % tcllib,
"TCLLDFLAGS='-ltcl%s'" % tclshortver,
"NETCDFINC='-I%s'" % netcdfinc,
"NETCDFLIB='-L%s'" % netcdflib,
self.cfg['buildopts'],
])
run_cmd(cmd, log_all=True, simple=False)
# create plugins distribution
plugindir = os.path.join(self.vmddir, 'plugins')
env.setvar('PLUGINDIR', plugindir)
self.log.info("Generating VMD plugins in %s", plugindir)
run_cmd("make distrib %s" % self.cfg['buildopts'], log_all=True, simple=False)
# explicitely mention whether or not we're building with CUDA/OptiX support
if deps['CUDA']:
self.log.info("Building with CUDA %s support", get_software_version('CUDA'))
if deps['OptiX']:
self.log.info("Building with Nvidia OptiX %s support", get_software_version('OptiX'))
else:
self.log.warn("Not building with Nvidia OptiX support!")
else:
self.log.warn("Not building with CUDA nor OptiX support!")
# see http://www.ks.uiuc.edu/Research/vmd/doxygen/configure.html
# LINUXAMD64: Linux 64-bit
# LP64: build VMD as 64-bit binary
# IMD: enable support for Interactive Molecular Dynamics (e.g. to connect to NAMD for remote simulations)
# PTHREADS: enable support for POSIX threads
# COLVARS: enable support for collective variables (related to NAMD/LAMMPS)
# NOSILENT: verbose build command
self.cfg.update('configopts', "LINUXAMD64 LP64 IMD PTHREADS COLVARS NOSILENT", allow_duplicate=False)
# add additional configopts based on available dependencies
for key in deps:
if deps[key]:
if key == 'Mesa':
self.cfg.update('configopts', "OPENGL MESA", allow_duplicate=False)
elif key == 'OptiX':
self.cfg.update('configopts', "LIBOPTIX", allow_duplicate=False)
elif key == 'Python':
self.cfg.update('configopts', "PYTHON NUMPY", allow_duplicate=False)
else:
self.cfg.update('configopts', key.upper(), allow_duplicate=False)
# configure for building with Intel compilers specifically
if self.toolchain.comp_family() == toolchain.INTELCOMP:
self.cfg.update('configopts', 'ICC', allow_duplicate=False)
# specify install location using environment variables
env.setvar('VMDINSTALLBINDIR', os.path.join(self.installdir, 'bin'))
env.setvar('VMDINSTALLLIBRARYDIR', os.path.join(self.installdir, 'lib'))
# configure in vmd-<version> directory
change_dir(self.vmddir)
run_cmd("%s ./configure %s" % (self.cfg['preconfigopts'], self.cfg['configopts']))
# change to 'src' subdirectory, ready for building
change_dir(os.path.join(self.vmddir, 'src'))
class EB_ALADIN(EasyBlock):
"""Support for building/installing ALADIN."""
def __init__(self, *args, **kwargs):
"""Initialisation of custom class variables for ALADIN."""
super(EB_ALADIN, self).__init__(*args, **kwargs)
self.conf_file = None
self.conf_filepath = None
self.rootpack_dir = 'UNKNOWN'
self.orig_library_path = None
@staticmethod
def extra_options():
"""Custom easyconfig parameters for ALADIN."""
extra_vars = {
'optional_extra_param': ['default value', "short description", CUSTOM],
}
return EasyBlock.extra_options(extra_vars)
def configure_step(self):
"""Custom configuration procedure for ALADIN."""
# unset $LIBRARY_PATH set by modules of dependencies, because it may screw up linking
if 'LIBRARY_PATH' in os.environ:
self.log.debug("Unsetting $LIBRARY_PATH (was: %s)" % os.environ['LIBRARY_PATH'])
self.orig_library_path = os.environ.pop('LIBRARY_PATH')
# build auxiliary libraries
auxlibs_dir = None
my_gnu = None
if self.toolchain.comp_family() == toolchain.GCC:
my_gnu = 'y' # gfortran
for var in ['CFLAGS', 'CXXFLAGS', 'F90FLAGS', 'FFLAGS']:
flags = os.getenv(var)
env.setvar(var, "%s -fdefault-real-8 -fdefault-double-8" % flags)
self.log.info("Updated %s to '%s'" % (var, os.getenv(var)))
elif self.toolchain.comp_family() == toolchain.INTELCOMP:
my_gnu = 'i' # icc/ifort
else:
raise EasyBuildError("Don't know how to set 'my_gnu' variable in auxlibs build script.")
self.log.info("my_gnu set to '%s'" % my_gnu)
tmp_installroot = tempfile.mkdtemp(prefix='aladin_auxlibs_')
try:
cwd = os.getcwd()
os.chdir(self.builddir)
builddirs = os.listdir(self.builddir)
auxlibs_dir = [x for x in builddirs if x.startswith('auxlibs_installer')][0]
os.chdir(auxlibs_dir)
auto_driver = 'driver_automatic'
for line in fileinput.input(auto_driver, inplace=1, backup='.orig.eb'):
line = re.sub(r"^(my_gnu\s*=\s*).*$", r"\1%s" % my_gnu, line)
line = re.sub(r"^(my_r32\s*=\s*).*$", r"\1n", line) # always 64-bit real precision
line = re.sub(r"^(my_readonly\s*=\s*).*$", r"\1y", line) # make libs read-only after build
line = re.sub(r"^(my_installroot\s*=\s*).*$", r"\1%s" % tmp_installroot, line)
sys.stdout.write(line)
run_cmd("./%s" % auto_driver)
os.chdir(cwd)
except OSError, err:
raise EasyBuildError("Failed to build ALADIN: %s", err)
# build gmkpack, update PATH and set GMKROOT
# we build gmkpack here because a config file is generated in the gmkpack isntall path
try:
gmkpack_dir = [x for x in builddirs if x.startswith('gmkpack')][0]
os.chdir(os.path.join(self.builddir, gmkpack_dir))
qa = {
'Do you want to run the configuration file maker assistant now (y) or later [n] ?': 'n',
}
run_cmd_qa("./build_gmkpack", qa)
os.chdir(cwd)
paths = os.getenv('PATH').split(':')
paths.append(os.path.join(self.builddir, gmkpack_dir, 'util'))
env.setvar('PATH', ':'.join(paths))
env.setvar('GMKROOT', os.path.join(self.builddir, gmkpack_dir))
except OSError, err:
raise EasyBuildError("Failed to build gmkpack: %s", err)
def configuremake_install_step(self):
"""Custom build, test & install procedure for Amber <20."""
# unset $LIBS since it breaks the build
env.unset_env_vars(['LIBS'])
# define environment variables for MPI, BLAS/LAPACK & dependencies
mklroot = get_software_root('imkl')
openblasroot = get_software_root('OpenBLAS')
if mklroot:
env.setvar('MKL_HOME', os.getenv('MKLROOT'))
elif openblasroot:
lapack = os.getenv('LIBLAPACK')
if lapack is None:
raise EasyBuildError(
"LIBLAPACK (from OpenBLAS) not found in environment.")
else:
env.setvar('GOTO', lapack)
mpiroot = get_software_root(self.toolchain.MPI_MODULE_NAME[0])
if mpiroot and self.toolchain.options.get('usempi', None):
env.setvar('MPI_HOME', mpiroot)
self.with_mpi = True
if self.toolchain.mpi_family() == toolchain.INTELMPI:
self.mpi_option = '-intelmpi'
else:
self.mpi_option = '-mpi'
common_configopts = [self.cfg['configopts'], '--no-updates']
if get_software_root('X11') is None:
common_configopts.append('-noX11')
if self.name == 'Amber' and self.cfg['static']:
common_configopts.append('-static')
netcdfroot = get_software_root('netCDF')
if netcdfroot:
common_configopts.extend(["--with-netcdf", netcdfroot])
netcdf_fort_root = get_software_root('netCDF-Fortran')
if netcdf_fort_root:
common_configopts.extend(["--with-netcdf-fort", netcdf_fort_root])
pythonroot = get_software_root('Python')
if pythonroot:
common_configopts.extend(
["--with-python",
os.path.join(pythonroot, 'bin', 'python')])
self.pylibdir = det_pylibdir()
pythonpath = os.environ.get('PYTHONPATH', '')
env.setvar(
'PYTHONPATH',
os.pathsep.join(
[os.path.join(self.installdir, self.pylibdir),
pythonpath]))
comp_fam = self.toolchain.comp_family()
if comp_fam == toolchain.INTELCOMP:
comp_str = 'intel'
elif comp_fam == toolchain.GCC:
comp_str = 'gnu'
else:
raise EasyBuildError(
"Don't know how to compile with compiler family '%s' -- check EasyBlock?",
comp_fam)
# The NAB compiles need openmp flag
if self.toolchain.options.get('openmp', None):
env.setvar('CUSTOMBUILDFLAGS', self.toolchain.get_flag('openmp'))
# compose list of build targets
build_targets = [('', 'test')]
if self.with_mpi:
build_targets.append((self.mpi_option, 'test.parallel'))
# hardcode to 4 MPI processes, minimal required to run all tests
env.setvar('DO_PARALLEL', self.toolchain.mpi_cmd_for('', 4))
cudaroot = get_software_root('CUDA')
if cudaroot:
env.setvar('CUDA_HOME', cudaroot)
self.with_cuda = True
build_targets.append(('-cuda', 'test.cuda'))
if self.with_mpi:
build_targets.append(
("-cuda %s" % self.mpi_option, 'test.cuda_parallel'))
ld_lib_path = os.environ.get('LD_LIBRARY_PATH', '')
env.setvar(
'LD_LIBRARY_PATH',
os.pathsep.join(
[os.path.join(self.installdir, 'lib'), ld_lib_path]))
for flag, testrule in build_targets:
# configure
cmd = "%s ./configure %s" % (self.cfg['preconfigopts'],
' '.join(common_configopts +
[flag, comp_str]))
(out, _) = run_cmd(cmd, log_all=True, simple=False)
# build in situ using 'make install'
# note: not 'build'
super(EB_Amber, self).install_step()
# test
if self.cfg['runtest']:
run_cmd("make %s" % testrule, log_all=True, simple=False)
# clean, overruling the normal 'build'
run_cmd("make clean")
class EB_PSI(CMakeMake):
"""
Support for building and installing PSI
"""
def __init__(self, *args, **kwargs):
"""Initialize class variables custom to PSI."""
super(EB_PSI, self).__init__(*args, **kwargs)
self.psi_srcdir = None
self.install_psi_objdir = None
self.install_psi_srcdir = None
@staticmethod
def extra_options():
"""Extra easyconfig parameters specific to PSI."""
extra_vars = {
# always include running PSI unit tests (takes about 2h or less)
'runtest': ["tests TESTFLAGS='-u -q'", "Run tests included with PSI, without interruption.", BUILD],
}
return CMakeMake.extra_options(extra_vars)
def configure_step(self):
"""
Configure build outside of source directory.
"""
try:
objdir = os.path.join(self.builddir, 'obj')
os.makedirs(objdir)
os.chdir(objdir)
except OSError, err:
self.log.error("Failed to prepare for configuration of PSI build: %s" % err)
env.setvar('F77FLAGS', os.getenv('F90FLAGS'))
# In order to create new plugins with PSI, it needs to know the location of the source
# and the obj dir after install. These env vars give that information to the configure script.
self.psi_srcdir = os.path.basename(self.cfg['start_dir'].rstrip(os.sep))
self.install_psi_objdir = os.path.join(self.installdir, 'obj')
self.install_psi_srcdir = os.path.join(self.installdir, self.psi_srcdir)
env.setvar('PSI_OBJ_INSTALL_DIR', self.install_psi_objdir)
env.setvar('PSI_SRC_INSTALL_DIR', self.install_psi_srcdir)
# explicitely specify Python binary to use
pythonroot = get_software_root('Python')
if not pythonroot:
self.log.error("Python module not loaded.")
# Use EB Boost
boostroot = get_software_root('Boost')
if not boostroot:
self.log.error("Boost module not loaded.")
# pre 4.0b5, they were using autotools, on newer it's CMake
if LooseVersion(self.version) <= LooseVersion("4.0b5"):
env.setvar('PYTHON', os.path.join(pythonroot, 'bin', 'python'))
env.setvar('USE_SYSTEM_BOOST', 'TRUE')
if self.toolchain.options.get('usempi', None):
# PSI doesn't require a Fortran compiler itself, but may require it to link to BLAS/LAPACK correctly
# we should always specify the sequential Fortran compiler,
# to avoid problems with -lmpi vs -lmpi_mt during linking
fcompvar = 'F77_SEQ'
else:
fcompvar = 'F77'
# update configure options
# using multi-threaded BLAS/LAPACK is important for performance,
# cfr. http://sirius.chem.vt.edu/psi4manual/latest/installfile.html#sec-install-iii
opt_vars = [
('cc', 'CC'),
('cxx', 'CXX'),
('fc', fcompvar),
('libdirs', 'LDFLAGS'),
('blas', 'LIBBLAS_MT'),
('lapack', 'LIBLAPACK_MT'),
]
for (opt, var) in opt_vars:
self.cfg.update('configopts', "--with-%s='%s'" % (opt, os.getenv(var)))
# -DMPICH_IGNORE_CXX_SEEK dances around problem with order of stdio.h and mpi.h headers
# both define SEEK_SET, this makes the one for MPI be ignored
self.cfg.update('configopts', "--with-opt='%s -DMPICH_IGNORE_CXX_SEEK'" % os.getenv('CFLAGS'))
# specify location of Boost
self.cfg.update('configopts', "--with-boost=%s" % boostroot)
# enable support for plugins
self.cfg.update('configopts', "--with-plugins")
ConfigureMake.configure_step(self, cmd_prefix=self.cfg['start_dir'])
else:
self.cfg['configopts'] += "-DPYTHON_INTERPRETER=%s " % os.path.join(pythonroot, 'bin', 'python')
self.cfg['configopts'] += "-DCMAKE_BUILD_TYPE=Release "
if self.toolchain.options.get('usempi', None):
self.cfg['configopts'] += "-DENABLE_MPI=ON "
if get_software_root('impi'):
self.cfg['configopts'] += "-DENABLE_CSR=ON -DBLAS_TYPE=MKL "
CMakeMake.configure_step(self, srcdir=self.cfg['start_dir'])
def configure_step(self):
"""Custom configuration procedure for Bazel."""
binutils_root = get_software_root('binutils')
gcc_root = get_software_root('GCCcore') or get_software_root('GCC')
gcc_ver = get_software_version('GCCcore') or get_software_version(
'GCC')
# only patch Bazel scripts if binutils & GCC installation prefix could be determined
if binutils_root and gcc_root:
res = glob.glob(
os.path.join(gcc_root, 'lib', 'gcc', '*', gcc_ver, 'include'))
if res and len(res) == 1:
gcc_lib_inc = res[0]
else:
raise EasyBuildError(
"Failed to pinpoint location of GCC include files: %s",
res)
gcc_lib_inc_fixed = os.path.join(os.path.dirname(gcc_lib_inc),
'include-fixed')
if not os.path.exists(gcc_lib_inc_fixed):
raise EasyBuildError("Derived directory %s does not exist",
gcc_lib_inc_fixed)
gcc_cplusplus_inc = os.path.join(gcc_root, 'include', 'c++',
gcc_ver)
if not os.path.exists(gcc_cplusplus_inc):
raise EasyBuildError("Derived directory %s does not exist",
gcc_cplusplus_inc)
# replace hardcoded paths in CROSSTOOL
regex_subs = [
(r'-B/usr/bin', '-B%s' % os.path.join(binutils_root, 'bin')),
(r'(cxx_builtin_include_directory:.*)/usr/lib/gcc',
r'\1%s' % gcc_lib_inc),
(r'(cxx_builtin_include_directory:.*)/usr/local/include',
r'\1%s' % gcc_lib_inc_fixed),
(r'(cxx_builtin_include_directory:.*)/usr/include',
r'\1%s' % gcc_cplusplus_inc),
]
for tool in ['ar', 'cpp', 'dwp', 'gcc', 'ld']:
path = which(tool)
if path:
regex_subs.append((os.path.join('/usr', 'bin',
tool), path))
else:
raise EasyBuildError("Failed to determine path to '%s'",
tool)
apply_regex_substitutions(
os.path.join('tools', 'cpp', 'CROSSTOOL'), regex_subs)
# replace hardcoded paths in (unix_)cc_configure.bzl
regex_subs = [
(r'-B/usr/bin', '-B%s' % os.path.join(binutils_root, 'bin')),
(r'"/usr/bin', '"' + os.path.join(binutils_root, 'bin')),
]
for conf_bzl in ['cc_configure.bzl', 'unix_cc_configure.bzl']:
filepath = os.path.join('tools', 'cpp', conf_bzl)
if os.path.exists(filepath):
apply_regex_substitutions(filepath, regex_subs)
else:
self.log.info(
"Not patching Bazel build scripts, installation prefix for binutils/GCC not found"
)
# enable building in parallel
env.setvar('EXTRA_BAZEL_ARGS', '--jobs=%d' % self.cfg['parallel'])
def configure_step(self):
"""Custom configuration procedure for ALADIN."""
# unset $LIBRARY_PATH set by modules of dependencies, because it may screw up linking
if 'LIBRARY_PATH' in os.environ:
self.log.debug("Unsetting $LIBRARY_PATH (was: %s)" %
os.environ['LIBRARY_PATH'])
self.orig_library_path = os.environ.pop('LIBRARY_PATH')
# build auxiliary libraries
auxlibs_dir = None
my_gnu = None
if self.toolchain.comp_family() == toolchain.GCC:
my_gnu = 'y' # gfortran
for var in ['CFLAGS', 'CXXFLAGS', 'F90FLAGS', 'FFLAGS']:
flags = os.getenv(var)
env.setvar(var,
"%s -fdefault-real-8 -fdefault-double-8" % flags)
self.log.info("Updated %s to '%s'" % (var, os.getenv(var)))
elif self.toolchain.comp_family() == toolchain.INTELCOMP:
my_gnu = 'i' # icc/ifort
else:
raise EasyBuildError(
"Don't know how to set 'my_gnu' variable in auxlibs build script."
)
self.log.info("my_gnu set to '%s'" % my_gnu)
tmp_installroot = tempfile.mkdtemp(prefix='aladin_auxlibs_')
try:
cwd = os.getcwd()
os.chdir(self.builddir)
builddirs = os.listdir(self.builddir)
auxlibs_dir = [
x for x in builddirs if x.startswith('auxlibs_installer')
][0]
os.chdir(auxlibs_dir)
auto_driver = 'driver_automatic'
for line in fileinput.input(auto_driver,
inplace=1,
backup='.orig.eb'):
line = re.sub(r"^(my_gnu\s*=\s*).*$", r"\1%s" % my_gnu, line)
line = re.sub(r"^(my_r32\s*=\s*).*$", r"\1n",
line) # always 64-bit real precision
line = re.sub(r"^(my_readonly\s*=\s*).*$", r"\1y",
line) # make libs read-only after build
line = re.sub(r"^(my_installroot\s*=\s*).*$",
r"\1%s" % tmp_installroot, line)
sys.stdout.write(line)
run_cmd("./%s" % auto_driver)
os.chdir(cwd)
except OSError as err:
raise EasyBuildError("Failed to build ALADIN: %s", err)
# build gmkpack, update PATH and set GMKROOT
# we build gmkpack here because a config file is generated in the gmkpack isntall path
try:
gmkpack_dir = [x for x in builddirs if x.startswith('gmkpack')][0]
os.chdir(os.path.join(self.builddir, gmkpack_dir))
qa = {
'Do you want to run the configuration file maker assistant now (y) or later [n] ?':
'n',
}
run_cmd_qa("./build_gmkpack", qa)
os.chdir(cwd)
paths = os.getenv('PATH').split(':')
paths.append(os.path.join(self.builddir, gmkpack_dir, 'util'))
env.setvar('PATH', ':'.join(paths))
env.setvar('GMKROOT', os.path.join(self.builddir, gmkpack_dir))
except OSError as err:
raise EasyBuildError("Failed to build gmkpack: %s", err)
# generate gmkpack configuration file
self.conf_file = 'ALADIN_%s' % self.version
self.conf_filepath = os.path.join(self.builddir, 'gmkpack_support',
'arch', '%s.x' % self.conf_file)
try:
if os.path.exists(self.conf_filepath):
os.remove(self.conf_filepath)
self.log.info("Removed existing gmpack config file %s" %
self.conf_filepath)
archdir = os.path.dirname(self.conf_filepath)
if not os.path.exists(archdir):
mkdir(archdir, parents=True)
except OSError as err:
raise EasyBuildError("Failed to remove existing file %s: %s",
self.conf_filepath, err)
mpich = 'n'
known_mpi_libs = [
toolchain.MPICH, toolchain.MPICH2, toolchain.INTELMPI
]
if self.toolchain.options.get(
'usempi',
None) and self.toolchain.mpi_family() in known_mpi_libs:
mpich = 'y'
qpref = 'Please type the ABSOLUTE name of '
qsuff = ', or ignore (environment variables allowed) :'
qsuff2 = ', or ignore : (environment variables allowed) :'
comp_fam = self.toolchain.comp_family()
if comp_fam == toolchain.GCC:
gribdir = 'GNU'
elif comp_fam == toolchain.INTELCOMP:
gribdir = 'INTEL'
else:
raise EasyBuildError(
"Don't know which grib lib dir to use for compiler %s",
comp_fam)
aux_lib_gribex = os.path.join(tmp_installroot, gribdir, 'lib',
'libgribex.a')
aux_lib_ibm = os.path.join(tmp_installroot, gribdir, 'lib',
'libibmdummy.a')
grib_api_lib = os.path.join(get_software_root('grib_api'), 'lib',
'libgrib_api.a')
grib_api_f90_lib = os.path.join(get_software_root('grib_api'), 'lib',
'libgrib_api_f90.a')
grib_api_inc = os.path.join(get_software_root('grib_api'), 'include')
jasperlib = os.path.join(get_software_root('JasPer'), 'lib',
'libjasper.a')
mpilib = os.path.join(os.getenv('MPI_LIB_DIR'),
os.getenv('MPI_LIB_SHARED'))
# netCDF
netcdf = get_software_root('netCDF')
netcdf_fortran = get_software_root('netCDF-Fortran')
if netcdf:
netcdfinc = os.path.join(netcdf, 'include')
if netcdf_fortran:
netcdflib = os.path.join(netcdf_fortran,
get_software_libdir('netCDF-Fortran'),
'libnetcdff.a')
else:
netcdflib = os.path.join(netcdf, get_software_libdir('netCDF'),
'libnetcdff.a')
if not os.path.exists(netcdflib):
raise EasyBuildError("%s does not exist", netcdflib)
else:
raise EasyBuildError("netCDF(-Fortran) not available")
ldpaths = [ldflag[2:] for ldflag in os.getenv('LDFLAGS').split(' ')
] # LDFLAGS have form '-L/path/to'
lapacklibs = []
for lib in os.getenv('LAPACK_STATIC_LIBS').split(','):
libpaths = [os.path.join(ldpath, lib) for ldpath in ldpaths]
lapacklibs.append([
libpath for libpath in libpaths if os.path.exists(libpath)
][0])
lapacklib = ' '.join(lapacklibs)
blaslibs = []
for lib in os.getenv('BLAS_STATIC_LIBS').split(','):
libpaths = [os.path.join(ldpath, lib) for ldpath in ldpaths]
blaslibs.append([
libpath for libpath in libpaths if os.path.exists(libpath)
][0])
blaslib = ' '.join(blaslibs)
qa = {
'Do you want to run the configuration file maker assistant now (y) or later [n] ?':
'y',
'Do you want to setup your configuration file for MPICH (y/n) [n] ?':
mpich,
'Please type the directory name where to find a dummy file mpif.h or ignore :':
os.getenv('MPI_INC_DIR'),
'%sthe library gribex or emos%s' % (qpref, qsuff2):
aux_lib_gribex,
'%sthe library ibm%s' % (qpref, qsuff):
aux_lib_ibm,
'%sthe library grib_api%s' % (qpref, qsuff):
grib_api_lib,
'%sthe library grib_api_f90%s' % (qpref, qsuff):
grib_api_f90_lib,
'%sthe JPEG auxilary library if enabled by Grib_api%s' % (qpref, qsuff2):
jasperlib,
'%sthe library netcdf%s' % (qpref, qsuff):
netcdflib,
'%sthe library lapack%s' % (qpref, qsuff):
lapacklib,
'%sthe library blas%s' % (qpref, qsuff):
blaslib,
'%sthe library mpi%s' % (qpref, qsuff):
mpilib,
'%sa MPI dummy library for serial executions, or ignore :' % qpref:
'',
'Please type the directory name where to find grib_api headers, or ignore :':
grib_api_inc,
'Please type the directory name where to find fortint.h or ignore :':
'',
'Please type the directory name where to find netcdf headers, or ignore :':
netcdfinc,
'Do you want to define CANARI (y/n) [y] ?':
'y',
'Please type the name of the script file used to generate a preprocessed blacklist file, or ignore :':
'',
'Please type the name of the script file used to recover local libraries (gget), or ignore :':
'',
'Please type the options to tune the gnu compilers, or ignore :':
os.getenv('F90FLAGS'),
}
f90_seq = os.getenv('F90_SEQ')
if not f90_seq:
# F90_SEQ is only defined when usempi is enabled
f90_seq = os.getenv('F90')
stdqa = OrderedDict([
(r'Confirm library .* is .*',
'y'), # this one needs to be tried first!
(r'.*fortran 90 compiler name .*\s*:\n\(suggestions\s*: .*\)',
f90_seq),
(r'.*fortran 90 compiler interfaced with .*\s*:\n\(suggestions\s*: .*\)',
f90_seq),
(r'Please type the ABSOLUTE name of .*library.*, or ignore\s*[:]*\s*[\n]*.*',
''),
(r'Please .* to save this draft configuration file :\n.*',
'%s.x' % self.conf_file),
])
no_qa = [
".*ignored.",
]
env.setvar('GMKTMP', self.builddir)
env.setvar('GMKFILE', self.conf_file)
run_cmd_qa("gmkfilemaker", qa, std_qa=stdqa, no_qa=no_qa)
# set environment variables for installation dirs
env.setvar('ROOTPACK', os.path.join(self.installdir, 'rootpack'))
env.setvar('ROOTBIN', os.path.join(self.installdir, 'rootpack'))
env.setvar('HOMEPACK', os.path.join(self.installdir, 'pack'))
env.setvar('HOMEBIN', os.path.join(self.installdir, 'pack'))
# patch config file to include right Fortran compiler flags
regex_subs = [(r"^(FRTFLAGS\s*=.*)$", r"\1 %s" % os.getenv('FFLAGS'))]
apply_regex_substitutions(self.conf_filepath, regex_subs)
def configure_step(self):
"""Custom configuration procedure for TensorFlow."""
binutils_root = get_software_root('binutils')
if not binutils_root:
raise EasyBuildError(
"Failed to determine installation prefix for binutils")
self.binutils_bin_path = os.path.join(binutils_root, 'bin')
# filter out paths from CPATH and LIBRARY_PATH. This is needed since bazel will pull some dependencies that
# might conflict with dependencies on the system and/or installed with EB. For example: protobuf
path_filter = self.cfg['path_filter']
if path_filter:
self.log.info(
"Filtering $CPATH and $LIBRARY_PATH with path filter %s",
path_filter)
for var in ['CPATH', 'LIBRARY_PATH']:
path = os.getenv(var).split(os.pathsep)
self.log.info("$%s old value was %s" % (var, path))
filtered_path = os.pathsep.join(
[p for fil in path_filter for p in path if fil not in p])
env.setvar(var, filtered_path)
self.setup_build_dirs()
use_wrapper = False
if self.toolchain.comp_family() == toolchain.INTELCOMP:
# put wrappers for Intel C/C++ compilers in place (required to make sure license server is found)
# cfr. https://github.com/bazelbuild/bazel/issues/663
for compiler in ('icc', 'icpc'):
self.write_wrapper(self.wrapper_dir, compiler,
'NOT-USED-WITH-ICC')
use_wrapper = True
use_mpi = self.toolchain.options.get('usempi', False)
mpi_home = ''
if use_mpi:
impi_root = get_software_root('impi')
if impi_root:
# put wrappers for Intel MPI compiler wrappers in place
# (required to make sure license server and I_MPI_ROOT are found)
for compiler in (os.getenv('MPICC'), os.getenv('MPICXX')):
self.write_wrapper(self.wrapper_dir, compiler,
os.getenv('I_MPI_ROOT'))
use_wrapper = True
# set correct value for MPI_HOME
mpi_home = os.path.join(impi_root, 'intel64')
else:
self.log.debug("MPI module name: %s",
self.toolchain.MPI_MODULE_NAME[0])
mpi_home = get_software_root(self.toolchain.MPI_MODULE_NAME[0])
self.log.debug("Derived value for MPI_HOME: %s", mpi_home)
if use_wrapper:
env.setvar('PATH',
os.pathsep.join([self.wrapper_dir,
os.getenv('PATH')]))
self.prepare_python()
self.handle_jemalloc()
self.verify_system_libs_info()
self.system_libs_info = self.get_system_libs()
cuda_root = get_software_root('CUDA')
cudnn_root = get_software_root('cuDNN')
opencl_root = get_software_root('OpenCL')
tensorrt_root = get_software_root('TensorRT')
nccl_root = get_software_root('NCCL')
config_env_vars = {
'CC_OPT_FLAGS': os.getenv('CXXFLAGS'),
'MPI_HOME': mpi_home,
'PYTHON_BIN_PATH': self.python_cmd,
'PYTHON_LIB_PATH': os.path.join(self.installdir, self.pylibdir),
'TF_CUDA_CLANG': '0',
'TF_ENABLE_XLA':
('0', '1')[bool(self.cfg['with_xla'])], # XLA JIT support
'TF_NEED_CUDA': ('0', '1')[bool(cuda_root)],
'TF_NEED_GCP': '0', # Google Cloud Platform
'TF_NEED_GDR': '0',
'TF_NEED_HDFS': '0', # Hadoop File System
'TF_NEED_JEMALLOC': ('0', '1')[self.cfg['with_jemalloc']],
'TF_NEED_MPI': ('0', '1')[bool(use_mpi)],
'TF_NEED_OPENCL': ('0', '1')[bool(opencl_root)],
'TF_NEED_OPENCL_SYCL': '0',
'TF_NEED_ROCM': '0',
'TF_NEED_S3': '0', # Amazon S3 File System
'TF_NEED_TENSORRT': '0',
'TF_NEED_VERBS': '0',
'TF_NEED_AWS': '0', # Amazon AWS Platform
'TF_NEED_KAFKA': '0', # Amazon Kafka Platform
'TF_SET_ANDROID_WORKSPACE': '0',
'TF_DOWNLOAD_CLANG': '0', # Still experimental in TF 2.1.0
'TF_SYSTEM_LIBS': ','.join(self.system_libs_info[0]),
}
if cuda_root:
cuda_version = get_software_version('CUDA')
cuda_maj_min_ver = '.'.join(cuda_version.split('.')[:2])
# $GCC_HOST_COMPILER_PATH should be set to path of the actual compiler (not the MPI compiler wrapper)
if use_mpi:
compiler_path = which(os.getenv('CC_SEQ'))
else:
compiler_path = which(os.getenv('CC'))
# list of CUDA compute capabilities to use can be specifed in two ways (where (2) overrules (1)):
# (1) in the easyconfig file, via the custom cuda_compute_capabilities;
# (2) in the EasyBuild configuration, via --cuda-compute-capabilities configuration option;
ec_cuda_cc = self.cfg['cuda_compute_capabilities']
cfg_cuda_cc = build_option('cuda_compute_capabilities')
cuda_cc = cfg_cuda_cc or ec_cuda_cc or []
if cfg_cuda_cc and ec_cuda_cc:
warning_msg = "cuda_compute_capabilities specified in easyconfig (%s) are overruled by " % ec_cuda_cc
warning_msg += "--cuda-compute-capabilities configuration option (%s)" % cfg_cuda_cc
print_warning(warning_msg)
elif not cuda_cc:
warning_msg = "No CUDA compute capabilities specified, so using TensorFlow default "
warning_msg += "(which may not be optimal for your system).\nYou should use "
warning_msg += "the --cuda-compute-capabilities configuration option or the cuda_compute_capabilities "
warning_msg += "easyconfig parameter to specify a list of CUDA compute capabilities to compile with."
print_warning(warning_msg)
# TensorFlow 1.12.1 requires compute capability >= 3.5
# see https://github.com/tensorflow/tensorflow/pull/25767
if LooseVersion(self.version) >= LooseVersion('1.12.1'):
faulty_comp_caps = [
x for x in cuda_cc if LooseVersion(x) < LooseVersion('3.5')
]
if faulty_comp_caps:
error_msg = "TensorFlow >= 1.12.1 requires CUDA compute capabilities >= 3.5, "
error_msg += "found one or more older ones: %s"
raise EasyBuildError(error_msg,
', '.join(faulty_comp_caps))
if cuda_cc:
self.log.info(
"Compiling with specified list of CUDA compute capabilities: %s",
', '.join(cuda_cc))
config_env_vars.update({
'CUDA_TOOLKIT_PATH':
cuda_root,
'GCC_HOST_COMPILER_PATH':
compiler_path,
# This is the binutils bin folder: https://github.com/tensorflow/tensorflow/issues/39263
'GCC_HOST_COMPILER_PREFIX':
self.binutils_bin_path,
'TF_CUDA_COMPUTE_CAPABILITIES':
','.join(cuda_cc),
'TF_CUDA_VERSION':
cuda_maj_min_ver,
})
# for recent TensorFlow versions, $TF_CUDA_PATHS and $TF_CUBLAS_VERSION must also be set
if LooseVersion(self.version) >= LooseVersion('1.14'):
# figure out correct major/minor version for CUBLAS from cublas_api.h
cublas_api_header_glob_pattern = os.path.join(
cuda_root, 'targets', '*', 'include', 'cublas_api.h')
matches = glob.glob(cublas_api_header_glob_pattern)
if len(matches) == 1:
cublas_api_header_path = matches[0]
cublas_api_header_txt = read_file(cublas_api_header_path)
else:
raise EasyBuildError(
"Failed to isolate path to cublas_api.h: %s", matches)
cublas_ver_parts = []
for key in [
'CUBLAS_VER_MAJOR', 'CUBLAS_VER_MINOR',
'CUBLAS_VER_PATCH'
]:
regex = re.compile("^#define %s ([0-9]+)" % key, re.M)
res = regex.search(cublas_api_header_txt)
if res:
cublas_ver_parts.append(res.group(1))
else:
raise EasyBuildError(
"Failed to find pattern '%s' in %s", regex.pattern,
cublas_api_header_path)
config_env_vars.update({
'TF_CUDA_PATHS':
cuda_root,
'TF_CUBLAS_VERSION':
'.'.join(cublas_ver_parts),
})
if cudnn_root:
cudnn_version = get_software_version('cuDNN')
cudnn_maj_min_patch_ver = '.'.join(
cudnn_version.split('.')[:3])
config_env_vars.update({
'CUDNN_INSTALL_PATH':
cudnn_root,
'TF_CUDNN_VERSION':
cudnn_maj_min_patch_ver,
})
else:
raise EasyBuildError(
"TensorFlow has a strict dependency on cuDNN if CUDA is enabled"
)
if nccl_root:
nccl_version = get_software_version('NCCL')
# Ignore the PKG_REVISION identifier if it exists (i.e., report 2.4.6 for 2.4.6-1 or 2.4.6-2)
nccl_version = nccl_version.split('-')[0]
config_env_vars.update({
'NCCL_INSTALL_PATH': nccl_root,
})
else:
nccl_version = '1.3' # Use simple downloadable version
config_env_vars.update({
'TF_NCCL_VERSION': nccl_version,
})
if tensorrt_root:
tensorrt_version = get_software_version('TensorRT')
config_env_vars.update({
'TF_NEED_TENSORRT': '1',
'TENSORRT_INSTALL_PATH': tensorrt_root,
'TF_TENSORRT_VERSION': tensorrt_version,
})
for (key, val) in sorted(config_env_vars.items()):
env.setvar(key, val)
# Does no longer apply (and might not be required at all) since 1.12.0
if LooseVersion(self.version) < LooseVersion('1.12.0'):
# patch configure.py (called by configure script) to avoid that Bazel abuses $HOME/.cache/bazel
regex_subs = [(r"(run_shell\(\['bazel')",
r"\1, '--output_base=%s', '--install_base=%s'" %
(self.output_base_dir, self.install_base_dir))]
apply_regex_substitutions('configure.py', regex_subs)
# Tell Bazel to not use $HOME/.cache/bazel at all
# See https://docs.bazel.build/versions/master/output_directories.html
env.setvar('TEST_TMPDIR', self.output_root_dir)
cmd = self.cfg['preconfigopts'] + './configure ' + self.cfg[
'configopts']
run_cmd(cmd, log_all=True, simple=True)
def configure_step(self):
"""
Configure PETSc by setting configure options and running configure script.
Configure procedure is much more concise for older versions (< v3).
"""
if LooseVersion(self.version) >= LooseVersion("3"):
# make the install dir first if we are doing a download install, then keep it for the rest of the way
deps = self.cfg["download_deps"] + self.cfg[
"download_deps_static"] + self.cfg["download_deps_shared"]
if deps:
self.log.info(
"Creating the installation directory before the configure."
)
self.make_installdir()
self.cfg["keeppreviousinstall"] = True
for dep in set(deps):
self.cfg.update('configopts', '--download-%s=1' % dep)
for dep in self.cfg["download_deps_static"]:
self.cfg.update('configopts',
'--download-%s-shared=0' % dep)
for dep in self.cfg["download_deps_shared"]:
self.cfg.update('configopts',
'--download-%s-shared=1' % dep)
# compilers
self.cfg.update('configopts', '--with-cc="%s"' % os.getenv('CC'))
self.cfg.update(
'configopts',
'--with-cxx="%s" --with-c++-support' % os.getenv('CXX'))
self.cfg.update('configopts', '--with-fc="%s"' % os.getenv('F90'))
# compiler flags
if LooseVersion(self.version) >= LooseVersion("3.5"):
self.cfg.update('configopts',
'--CFLAGS="%s"' % os.getenv('CFLAGS'))
self.cfg.update('configopts',
'--CXXFLAGS="%s"' % os.getenv('CXXFLAGS'))
self.cfg.update('configopts',
'--FFLAGS="%s"' % os.getenv('F90FLAGS'))
else:
self.cfg.update('configopts',
'--with-cflags="%s"' % os.getenv('CFLAGS'))
self.cfg.update('configopts',
'--with-cxxflags="%s"' % os.getenv('CXXFLAGS'))
self.cfg.update('configopts',
'--with-fcflags="%s"' % os.getenv('F90FLAGS'))
if not self.toolchain.comp_family(
) == toolchain.GCC: #@UndefinedVariable
self.cfg.update('configopts', '--with-gnu-compilers=0')
# MPI
if self.toolchain.options.get('usempi', None):
self.cfg.update('configopts', '--with-mpi=1')
# build options
self.cfg.update('configopts',
'--with-build-step-np=%s' % self.cfg['parallel'])
self.cfg.update(
'configopts',
'--with-shared-libraries=%d' % self.cfg['shared_libs'])
self.cfg.update(
'configopts',
'--with-debugging=%d' % self.toolchain.options['debug'])
self.cfg.update('configopts',
'--with-pic=%d' % self.toolchain.options['pic'])
self.cfg.update('configopts',
'--with-x=0 --with-windows-graphics=0')
# PAPI support
if self.cfg['with_papi']:
papi_inc = self.cfg['papi_inc']
papi_inc_file = os.path.join(papi_inc, "papi.h")
papi_lib = self.cfg['papi_lib']
if os.path.isfile(papi_inc_file) and os.path.isfile(papi_lib):
self.cfg.update('configopts', '--with-papi=1')
self.cfg.update('configopts',
'--with-papi-include=%s' % papi_inc)
self.cfg.update('configopts',
'--with-papi-lib=%s' % papi_lib)
else:
raise EasyBuildError(
"PAPI header (%s) and/or lib (%s) not found, can not enable PAPI support?",
papi_inc_file, papi_lib)
# Python extensions_step
if get_software_root('Python'):
self.cfg.update('configopts', '--with-numpy=1')
if self.cfg['shared_libs']:
self.cfg.update('configopts', '--with-mpi4py=1')
# FFTW, ScaLAPACK (and BLACS for older PETSc versions)
deps = ["FFTW", "ScaLAPACK"]
if LooseVersion(self.version) < LooseVersion("3.5"):
deps.append("BLACS")
for dep in deps:
inc = os.getenv('%s_INC_DIR' % dep.upper())
libdir = os.getenv('%s_LIB_DIR' % dep.upper())
libs = os.getenv('%s_STATIC_LIBS' % dep.upper())
if inc and libdir and libs:
with_arg = "--with-%s" % dep.lower()
self.cfg.update('configopts', '%s=1' % with_arg)
self.cfg.update('configopts',
'%s-include=%s' % (with_arg, inc))
self.cfg.update(
'configopts',
'%s-lib=[%s/%s]' % (with_arg, libdir, libs))
else:
self.log.info(
"Missing inc/lib info, so not enabling %s support." %
dep)
# BLAS, LAPACK libraries
bl_libdir = os.getenv('BLAS_LAPACK_LIB_DIR')
bl_libs = os.getenv('BLAS_LAPACK_STATIC_LIBS')
if bl_libdir and bl_libs:
self.cfg.update(
'configopts',
'--with-blas-lapack-lib=[%s/%s]' % (bl_libdir, bl_libs))
else:
raise EasyBuildError(
"One or more environment variables for BLAS/LAPACK not defined?"
)
# additional dependencies
# filter out deps handled seperately
depfilter = self.cfg.builddependencies() + [
"BLACS", "BLAS", "CMake", "FFTW", "LAPACK", "numpy", "mpi4py",
"papi", "ScaLAPACK", "SuiteSparse"
]
deps = [
dep['name'] for dep in self.cfg.dependencies()
if not dep['name'] in depfilter
]
for dep in deps:
if type(dep) == str:
dep = (dep, dep)
deproot = get_software_root(dep[0])
if deproot:
if (LooseVersion(self.version) >=
LooseVersion("3.5")) and (dep[1] == "SCOTCH"):
withdep = "--with-pt%s" % dep[1].lower(
) # --with-ptscotch is the configopt PETSc >= 3.5
else:
withdep = "--with-%s" % dep[1].lower()
self.cfg.update(
'configopts',
'%s=1 %s-dir=%s' % (withdep, withdep, deproot))
# SuiteSparse options changed in PETSc 3.5,
suitesparse = get_software_root('SuiteSparse')
if suitesparse:
if LooseVersion(self.version) >= LooseVersion("3.5"):
withdep = "--with-suitesparse"
# specified order of libs matters!
ss_libs = [
"UMFPACK", "KLU", "CHOLMOD", "BTF", "CCOLAMD",
"COLAMD", "CAMD", "AMD"
]
suitesparse_inc = [
os.path.join(suitesparse, l, "Include")
for l in ss_libs
]
suitesparse_inc.append(
os.path.join(suitesparse, "SuiteSparse_config"))
inc_spec = "-include=[%s]" % ','.join(suitesparse_inc)
suitesparse_libs = [
os.path.join(suitesparse, l, "Lib",
"lib%s.a" % l.lower()) for l in ss_libs
]
suitesparse_libs.append(
os.path.join(suitesparse, "SuiteSparse_config",
"libsuitesparseconfig.a"))
lib_spec = "-lib=[%s]" % ','.join(suitesparse_libs)
else:
# CHOLMOD and UMFPACK are part of SuiteSparse (PETSc < 3.5)
withdep = "--with-umfpack"
inc_spec = "-include=%s" % os.path.join(
suitesparse, "UMFPACK", "Include")
# specified order of libs matters!
umfpack_libs = [
os.path.join(suitesparse, l, "Lib",
"lib%s.a" % l.lower())
for l in ["UMFPACK", "CHOLMOD", "COLAMD", "AMD"]
]
lib_spec = "-lib=[%s]" % ','.join(umfpack_libs)
self.cfg.update(
'configopts', ' '.join([
withdep + spec for spec in ['=1', inc_spec, lib_spec]
]))
# set PETSC_DIR for configure (env) and build_step
env.setvar('PETSC_DIR', self.cfg['start_dir'])
self.cfg.update('buildopts',
'PETSC_DIR=%s' % self.cfg['start_dir'])
if self.cfg['sourceinstall']:
# run configure without --prefix (required)
cmd = "%s ./configure %s" % (self.cfg['preconfigopts'],
self.cfg['configopts'])
(out, _) = run_cmd(cmd, log_all=True, simple=False)
else:
out = super(EB_PETSc, self).configure_step()
# check for errors in configure
error_regexp = re.compile("ERROR")
if error_regexp.search(out):
raise EasyBuildError("Error(s) detected in configure output!")
if self.cfg['sourceinstall']:
# figure out PETSC_ARCH setting
petsc_arch_regex = re.compile("^\s*PETSC_ARCH:\s*(\S+)$", re.M)
res = petsc_arch_regex.search(out)
if res:
self.petsc_arch = res.group(1)
self.cfg.update('buildopts',
'PETSC_ARCH=%s' % self.petsc_arch)
else:
raise EasyBuildError(
"Failed to determine PETSC_ARCH setting.")
self.petsc_subdir = '%s-%s' % (self.name.lower(), self.version)
else: # old versions (< 3.x)
self.cfg.update('configopts', '--prefix=%s' % self.installdir)
self.cfg.update('configopts', '--with-shared=1')
# additional dependencies
for dep in ["SCOTCH"]:
deproot = get_software_root(dep)
if deproot:
withdep = "--with-%s" % dep.lower()
self.cfg.update(
'configopts',
'%s=1 %s-dir=%s' % (withdep, withdep, deproot))
cmd = "./config/configure.py %s" % self.get_cfg('configopts')
run_cmd(cmd, log_all=True, simple=True)
# PETSc > 3.5, make does not accept -j
if LooseVersion(self.version) >= LooseVersion("3.5"):
self.cfg['parallel'] = None
def sanity_check_step(self):
"""Custom sanity check for TensorFlow."""
custom_paths = {
'files': ['bin/tensorboard'],
'dirs': [self.pylibdir],
}
custom_commands = [
"%s -c 'import tensorflow'" % self.python_cmd,
# tf_should_use importsweakref.finalize, which requires backports.weakref for Python < 3.4
"%s -c 'from tensorflow.python.util import tf_should_use'" %
self.python_cmd,
]
res = super(EB_TensorFlow,
self).sanity_check_step(custom_paths=custom_paths,
custom_commands=custom_commands)
# test installation using MNIST tutorial examples
if self.cfg['runtest']:
pythonpath = os.getenv('PYTHONPATH', '')
env.setvar(
'PYTHONPATH',
os.pathsep.join(
[os.path.join(self.installdir, self.pylibdir),
pythonpath]))
mnist_pys = []
if LooseVersion(self.version) < LooseVersion('2.0'):
mnist_pys.append('mnist_with_summaries.py')
if LooseVersion(self.version) < LooseVersion('1.13'):
# mnist_softmax.py was removed in TensorFlow 1.13.x
mnist_pys.append('mnist_softmax.py')
for mnist_py in mnist_pys:
datadir = tempfile.mkdtemp(suffix='-tf-%s-data' %
os.path.splitext(mnist_py)[0])
logdir = tempfile.mkdtemp(suffix='-tf-%s-logs' %
os.path.splitext(mnist_py)[0])
mnist_py = os.path.join(self.start_dir, 'tensorflow',
'examples', 'tutorials', 'mnist',
mnist_py)
cmd = "%s %s --data_dir %s --log_dir %s" % (
self.python_cmd, mnist_py, datadir, logdir)
run_cmd(cmd, log_all=True, simple=True, log_ok=True)
# run test script (if any)
if self.test_script:
# copy test script to build dir before running it, to avoid that a file named 'tensorflow.py'
# (a customized TensorFlow easyblock for example) breaks 'import tensorflow'
test_script = os.path.join(self.builddir,
os.path.basename(self.test_script))
copy_file(self.test_script, test_script)
run_cmd("python %s" % test_script,
log_all=True,
simple=True,
log_ok=True)
return res
def configure_step(self):
"""Configure build:
- set required environment variables (for netCDF, JasPer)
- patch compile script and ungrib Makefile for non-default install paths of WRF and JasPer
- run configure script and figure how to select desired build option
- patch configure.wps file afterwards to fix 'serial compiler' setting
"""
# netCDF dependency check + setting env vars (NETCDF, NETCDFF)
set_netcdf_env_vars(self.log)
# WRF dependency check
wrf = get_software_root('WRF')
if wrf:
wrfdir = os.path.join(wrf,
det_wrf_subdir(get_software_version('WRF')))
else:
raise EasyBuildError("WRF module not loaded?")
self.compile_script = 'compile'
if LooseVersion(self.version) >= LooseVersion('4.0.3'):
# specify install location of WRF via $WRF_DIR (supported since WPS 4.0.3)
# see https://github.com/wrf-model/WPS/pull/102
env.setvar('WRF_DIR', wrfdir)
else:
# patch compile script so that WRF is found
regex_subs = [(r"^(\s*set\s*WRF_DIR_PRE\s*=\s*)\${DEV_TOP}(.*)$",
r"\1%s\2" % wrfdir)]
apply_regex_substitutions(self.compile_script, regex_subs)
# libpng dependency check
libpng = get_software_root('libpng')
zlib = get_software_root('zlib')
if libpng:
paths = [libpng]
if zlib:
paths.insert(0, zlib)
libpnginc = ' '.join(
['-I%s' % os.path.join(path, 'include') for path in paths])
libpnglib = ' '.join(
['-L%s' % os.path.join(path, 'lib') for path in paths])
else:
# define these as empty, assume that libpng will be available via OS (e.g. due to --filter-deps=libpng)
libpnglib = ""
libpnginc = ""
# JasPer dependency check + setting env vars
jasper = get_software_root('JasPer')
if jasper:
env.setvar('JASPERINC', os.path.join(jasper, "include"))
jasperlibdir = os.path.join(jasper, "lib")
env.setvar('JASPERLIB', jasperlibdir)
jasperlib = "-L%s" % jasperlibdir
else:
raise EasyBuildError("JasPer module not loaded?")
# patch ungrib Makefile so that JasPer is found
jasperlibs = "%s -ljasper %s -lpng" % (jasperlib, libpnglib)
regex_subs = [
(r"^(\s*-L\.\s*-l\$\(LIBTARGET\))(\s*;.*)$",
r"\1 %s\2" % jasperlibs),
(r"^(\s*\$\(COMPRESSION_LIBS\))(\s*;.*)$",
r"\1 %s\2" % jasperlibs),
]
apply_regex_substitutions(os.path.join('ungrib', 'src', 'Makefile'),
regex_subs)
# patch arch/Config.pl script, so that run_cmd_qa receives all output to answer questions
patch_perl_script_autoflush(os.path.join("arch", "Config.pl"))
# Fix hardcoded cpp paths
regex_subs = [('/usr/bin/cpp', 'cpp')]
apply_regex_substitutions('arch/configure.defaults', regex_subs)
# configure
# determine build type option to look for
self.comp_fam = self.toolchain.comp_family()
build_type_option = None
if LooseVersion(self.version) >= LooseVersion("3.4"):
knownbuildtypes = {'smpar': 'serial', 'dmpar': 'dmpar'}
if self.comp_fam == toolchain.INTELCOMP: # @UndefinedVariable
build_type_option = " Linux x86_64, Intel compiler"
elif self.comp_fam == toolchain.GCC: # @UndefinedVariable
if LooseVersion(self.version) >= LooseVersion("3.6"):
build_type_option = "Linux x86_64, gfortran"
else:
build_type_option = "Linux x86_64 g95"
else:
raise EasyBuildError(
"Don't know how to figure out build type to select.")
else:
knownbuildtypes = {'smpar': 'serial', 'dmpar': 'DM parallel'}
if self.comp_fam == toolchain.INTELCOMP: # @UndefinedVariable
build_type_option = "PC Linux x86_64, Intel compiler"
elif self.comp_fam == toolchain.GCC: # @UndefinedVariable
build_type_option = "PC Linux x86_64, gfortran compiler,"
knownbuildtypes['dmpar'] = knownbuildtypes['dmpar'].upper()
else:
raise EasyBuildError(
"Don't know how to figure out build type to select.")
# check and fetch selected build type
bt = self.cfg['buildtype']
if bt not in knownbuildtypes.keys():
raise EasyBuildError(
"Unknown build type: '%s'. Supported build types: %s", bt,
knownbuildtypes.keys())
# fetch option number based on build type option and selected build type
build_type_question = r"\s*(?P<nr>[0-9]+).\s*%s\s*\(?%s\)?\s*\n" % (
build_type_option, knownbuildtypes[bt])
cmd = "./configure"
qa = {}
no_qa = [".*compiler is.*"]
std_qa = {
# named group in match will be used to construct answer
r"%s(.*\n)*Enter selection\s*\[[0-9]+-[0-9]+\]\s*:" % build_type_question:
"%(nr)s",
}
run_cmd_qa(cmd,
qa,
no_qa=no_qa,
std_qa=std_qa,
log_all=True,
simple=True)
# make sure correct compilers and compiler flags are being used
comps = {
'SCC': "%s -I$(JASPERINC) %s" % (os.getenv('CC'), libpnginc),
'SFC': os.getenv('F90'),
'DM_FC': os.getenv('MPIF90'),
'DM_CC': os.getenv('MPICC'),
'FC': os.getenv('MPIF90'),
'CC': os.getenv('MPICC'),
}
if self.toolchain.options.get('openmp', None):
comps.update({
'LDFLAGS':
'%s %s' %
(self.toolchain.get_flag('openmp'), os.environ['LDFLAGS'])
})
regex_subs = [(r"^(%s\s*=\s*).*$" % key, r"\1 %s" % val)
for (key, val) in comps.items()]
apply_regex_substitutions('configure.wps', regex_subs)
def configure_step(self):
"""Custom configuration procedure for ESMF through environment variables."""
env.setvar('ESMF_DIR', self.cfg['start_dir'])
env.setvar('ESMF_INSTALL_PREFIX', self.installdir)
env.setvar('ESMF_INSTALL_BINDIR', 'bin')
env.setvar('ESMF_INSTALL_LIBDIR', 'lib')
env.setvar('ESMF_INSTALL_MODDIR', 'mod')
# specify compiler
comp_family = self.toolchain.comp_family()
if comp_family in [toolchain.GCC]:
compiler = 'gfortran'
else:
compiler = comp_family.lower()
env.setvar('ESMF_COMPILER', compiler)
# specify MPI communications library
if self.cfg.get('mpicomm', None):
comm = self.cfg['mpicomm']
else:
mpi_family = self.toolchain.mpi_family()
if mpi_family in [toolchain.MPICH, toolchain.QLOGICMPI]:
# MPICH family for MPICH v3.x, which is MPICH2 compatible
comm = 'mpich2'
else:
comm = mpi_family.lower()
env.setvar('ESMF_COMM', comm)
# specify decent LAPACK lib
env.setvar('ESMF_LAPACK', 'user')
env.setvar('ESMF_LAPACK_LIBS',
'%s %s' % (os.getenv('LDFLAGS'), os.getenv('LIBLAPACK_MT')))
# specify netCDF
netcdf = get_software_root('netCDF')
if netcdf:
env.setvar('ESMF_NETCDF', 'user')
netcdf_libs = ['-L%s/lib' % netcdf, '-lnetcdf']
# Fortran
netcdff = get_software_root('netCDF-Fortran')
if netcdff:
netcdf_libs = ["-L%s/lib" % netcdff
] + netcdf_libs + ["-lnetcdff"]
else:
netcdf_libs.append('-lnetcdff')
# C++
netcdfcxx = get_software_root('netCDF-C++')
if netcdfcxx:
netcdf_libs = ["-L%s/lib" % netcdfcxx
] + netcdf_libs + ["-lnetcdf_c++4"]
else:
netcdf_libs.append('-lnetcdf_c++4')
env.setvar('ESMF_NETCDF_LIBS', ' '.join(netcdf_libs))
# 'make info' provides useful debug info
cmd = "make info"
run_cmd(cmd, log_all=True, simple=True, log_ok=True)
def test_step(self):
"""Run WIEN2k test benchmarks. """
def run_wien2k_test(cmd_arg):
"""Run a WPS command, and check for success."""
cmd = "x_lapw lapw1 %s" % cmd_arg
(out, _) = run_cmd(cmd, log_all=True, simple=False)
re_success = re.compile("LAPW1\s+END")
if not re_success.search(out):
raise EasyBuildError(
"Test '%s' in %s failed (pattern '%s' not found)?", cmd,
os.getcwd(), re_success.pattern)
else:
self.log.info("Test '%s' seems to have run successfully: %s" %
(cmd, out))
if self.cfg['runtest']:
if not self.cfg['testdata']:
raise EasyBuildError("List of URLs for testdata not provided.")
# prepend $PATH with install directory, define $SCRATCH which is used by the tests
env.setvar('PATH', "%s:%s" % (self.installdir, os.environ['PATH']))
try:
cwd = os.getcwd()
# create temporary directory
tmpdir = tempfile.mkdtemp()
os.chdir(tmpdir)
self.log.info("Running tests in %s" % tmpdir)
scratch = os.path.join(tmpdir, 'scratch')
mkdir(scratch)
env.setvar('SCRATCH', scratch)
# download data
testdata_paths = {}
for testdata in self.cfg['testdata']:
td_path = self.obtain_file(testdata)
if not td_path:
raise EasyBuildError(
"Downloading file from %s failed?", testdata)
testdata_paths.update(
{os.path.basename(testdata): td_path})
self.log.debug('testdata_paths: %s' % testdata_paths)
# unpack serial benchmark
serial_test_name = "test_case"
extract_file(testdata_paths['%s.tar.gz' % serial_test_name],
tmpdir)
# run serial benchmark
os.chdir(os.path.join(tmpdir, serial_test_name))
run_wien2k_test("-c")
# unpack parallel benchmark (in serial benchmark dir)
parallel_test_name = "mpi-benchmark"
extract_file(testdata_paths['%s.tar.gz' % parallel_test_name],
tmpdir)
# run parallel benchmark
os.chdir(os.path.join(tmpdir, serial_test_name))
run_wien2k_test("-p")
os.chdir(cwd)
rmtree2(tmpdir)
except OSError, err:
raise EasyBuildError(
"Failed to run WIEN2k benchmark tests: %s", err)
self.log.debug("Current dir: %s" % os.getcwd())
def install_step(self):
"""Install components, if specified."""
comp_cnt = len(self.cfg['components'])
for idx, cfg in enumerate(self.comp_cfgs):
print_msg("installing bundle component %s v%s (%d/%d)..." %
(cfg['name'], cfg['version'], idx + 1, comp_cnt))
self.log.info("Installing component %s v%s using easyblock %s",
cfg['name'], cfg['version'], cfg.easyblock)
comp = cfg.easyblock(cfg)
# correct build/install dirs
comp.builddir = self.builddir
comp.install_subdir, comp.installdir = self.install_subdir, self.installdir
# make sure we can build in parallel
comp.set_parallel()
# figure out correct start directory
comp.guess_start_dir()
# need to run fetch_patches to ensure per-component patches are applied
comp.fetch_patches()
comp.src = []
# find match entries in self.src for this component
for source in comp.cfg['sources']:
if isinstance(source, string_type):
comp_src_fn = source
elif isinstance(source, dict):
if 'filename' in source:
comp_src_fn = source['filename']
else:
raise EasyBuildError(
"Encountered source file specified as dict without 'filename': %s",
source)
else:
raise EasyBuildError(
"Specification of unknown type for source file: %s",
source)
found = False
for src in self.src:
if src['name'] == comp_src_fn:
self.log.info(
"Found spec for source %s for component %s: %s",
comp_src_fn, comp.name, src)
comp.src.append(src)
found = True
break
if not found:
raise EasyBuildError(
"Failed to find spec for source %s for component %s",
comp_src_fn, comp.name)
# location of first unpacked source is used to determine where to apply patch(es)
comp.src[-1]['finalpath'] = comp.cfg['start_dir']
# check if sanity checks are enabled for the component
if self.cfg['sanity_check_all_components'] or comp.cfg[
'name'] in self.cfg['sanity_check_components']:
self.comp_cfgs_sanity_check.append(comp)
# run relevant steps
for step_name in ['patch', 'configure', 'build', 'install']:
if step_name in cfg['skipsteps']:
comp.log.info("Skipping '%s' step for component %s v%s",
step_name, cfg['name'], cfg['version'])
else:
comp.run_step(
step_name,
[lambda x: getattr(x, '%s_step' % step_name)])
# update environment to ensure stuff provided by former components can be picked up by latter components
# once the installation is finalised, this is handled by the generated module
reqs = comp.make_module_req_guess()
for envvar in reqs:
curr_val = os.getenv(envvar, '')
curr_paths = curr_val.split(os.pathsep)
for subdir in reqs[envvar]:
path = os.path.join(self.installdir, subdir)
if path not in curr_paths:
if curr_val:
new_val = '%s:%s' % (path, curr_val)
else:
new_val = path
env.setvar(envvar, new_val)
# close log for this component
comp.close_log()
def configure_step(self):
# things might go wrong if a previous install dir is present, so let's get rid of it
if not self.cfg['keeppreviousinstall']:
self.log.info("Making sure any old installation is removed before we start the build...")
super(EB_MVAPICH2, self).make_dir(self.installdir, True, dontcreateinstalldir=True)
# additional configuration options
add_configopts = []
add_configopts.append('--with-rdma=%s' % self.cfg['rdma_type'])
# use POSIX threads
add_configopts.append('--with-thread-package=pthreads')
if self.cfg['debug']:
# debug build, with error checking, timing and debug info
# note: this will affact performance
add_configopts.append('--enable-fast=none')
else:
# optimized build, no error checking, timing or debug info
add_configopts.append('--enable-fast')
# enable shared libraries, using GCC and GNU ld options
add_configopts.extend(['--enable-shared', '--enable-sharedlibs=gcc'])
# enable Fortran 77/90 and C++ bindings
add_configopts.extend(['--enable-f77', '--enable-fc', '--enable-cxx'])
# MVAPICH configure script complains when F90 or F90FLAGS are set,
# they should be replaced with FC/FCFLAGS instead
for (envvar, new_envvar) in [("F90", "FC"), ("F90FLAGS", "FCFLAGS")]:
envvar_val = os.getenv(envvar)
if envvar_val:
new_envvar_val = os.getenv(new_envvar)
env.setvar(envvar, '')
if envvar_val == new_envvar_val:
self.log.debug("$%s == $%s, just defined $%s as empty", envvar, new_envvar, envvar)
elif new_envvar_val is None:
env.setvar(new_envvar, envvar_val)
else:
raise EasyBuildError("Both $%s and $%s set, can I overwrite $%s with $%s (%s) ?",
envvar, new_envvar, new_envvar, envvar, envvar_val)
# enable specific support options (if desired)
if self.cfg['withmpe']:
add_configopts.append('--enable-mpe')
if self.cfg['withlimic2']:
add_configopts.append('--enable-limic2')
if self.cfg['withchkpt']:
add_configopts.extend(['--enable-checkpointing', '--with-hydra-ckpointlib=blcr'])
if self.cfg['withhwloc']:
add_configopts.append('--with-hwloc')
# pass BLCR paths if specified
if self.cfg['blcr_path']:
add_configopts.append('--with-blcr=%s' % self.cfg['blcr_path'])
if self.cfg['blcr_inc_path']:
add_configopts.append('--with-blcr-include=%s' % self.cfg['blcr_inc_path'])
if self.cfg['blcr_lib_path']:
add_configopts.append('--with-blcr-libpath=%s' % self.cfg['blcr_lib_path'])
self.cfg.update('configopts', ' '.join(add_configopts))
super(EB_MVAPICH2, self).configure_step()
def configure_step(self):
"""Custom configuration procedure for GROMACS: set configure options for configure or cmake."""
if LooseVersion(self.version) >= LooseVersion('4.6'):
cuda = get_software_root('CUDA')
if cuda:
# CUDA with double precision is currently not supported in GROMACS yet
# If easyconfig explicitly have double_precision=True error out,
# otherwise warn about it and skip the double precision build
if self.cfg.get('double_precision'):
raise EasyBuildError(
"Double precision is not available for GPU build. " +
"Please explicitly set \"double_precision = False\" " +
"or remove it in the easyconfig file.")
if self.double_prec_pattern in self.cfg['configopts']:
if self.cfg.get('double_precision') is None:
# Only print warning once when trying double precision
# build the first time
self.cfg['double_precision'] = False
self.log.info(
"Double precision is not available for " +
"GPU build. Skipping the double precision build.")
self.log.info("skipping configure step")
return
if LooseVersion(self.version) >= LooseVersion('2021'):
self.cfg.update(
'configopts',
"-DGMX_GPU=CUDA -DCUDA_TOOLKIT_ROOT_DIR=%s" % cuda)
else:
self.cfg.update(
'configopts',
"-DGMX_GPU=ON -DCUDA_TOOLKIT_ROOT_DIR=%s" % cuda)
else:
# explicitly disable GPU support if CUDA is not available,
# to avoid that GROMACS find and uses a system-wide CUDA compiler
self.cfg.update('configopts', "-DGMX_GPU=OFF")
# check whether PLUMED is loaded as a dependency
plumed_root = get_software_root('PLUMED')
if plumed_root:
# Need to check if PLUMED has an engine for this version
engine = 'gromacs-%s' % self.version
(out, _) = run_cmd("plumed-patch -l", log_all=True, simple=False)
if not re.search(engine, out):
raise EasyBuildError(
"There is no support in PLUMED version %s for GROMACS %s: %s",
get_software_version('PLUMED'), self.version, out)
# PLUMED patching must be done at different stages depending on
# version of GROMACS. Just prepare first part of cmd here
plumed_cmd = "plumed-patch -p -e %s" % engine
if LooseVersion(self.version) < LooseVersion('4.6'):
self.log.info(
"Using configure script for configuring GROMACS build.")
if self.cfg['build_shared_libs']:
self.cfg.update('configopts',
"--enable-shared --disable-static")
else:
self.cfg.update('configopts', "--enable-static")
# Use external BLAS and LAPACK
self.cfg.update('configopts',
"--with-external-blas --with-external-lapack")
env.setvar('LIBS',
"%s %s" % (os.environ['LIBLAPACK'], os.environ['LIBS']))
# Don't use the X window system
self.cfg.update('configopts', "--without-x")
# OpenMP is not supported for versions older than 4.5.
if LooseVersion(self.version) >= LooseVersion('4.5'):
# enable OpenMP support if desired
if self.toolchain.options.get('openmp', None):
self.cfg.update('configopts', "--enable-threads")
else:
self.cfg.update('configopts', "--disable-threads")
elif self.toolchain.options.get('openmp', None):
raise EasyBuildError(
"GROMACS version %s does not support OpenMP" %
self.version)
# GSL support
if get_software_root('GSL'):
self.cfg.update('configopts', "--with-gsl")
else:
self.cfg.update('configopts', "--without-gsl")
# actually run configure via ancestor (not direct parent)
self.cfg['configure_cmd'] = "./configure"
ConfigureMake.configure_step(self)
# Now patch GROMACS for PLUMED between configure and build
if plumed_root:
run_cmd(plumed_cmd, log_all=True, simple=True)
else:
if '-DGMX_MPI=ON' in self.cfg['configopts']:
mpi_numprocs = self.cfg.get('mpi_numprocs', 0)
if mpi_numprocs == 0:
self.log.info(
"No number of test MPI tasks specified -- using default: %s",
self.cfg['parallel'])
mpi_numprocs = self.cfg['parallel']
elif mpi_numprocs > self.cfg['parallel']:
self.log.warning(
"Number of test MPI tasks (%s) is greater than value for 'parallel': %s",
mpi_numprocs, self.cfg['parallel'])
mpiexec = self.cfg.get('mpiexec')
if mpiexec:
mpiexec_path = which(mpiexec)
if mpiexec_path:
self.cfg.update('configopts',
"-DMPIEXEC=%s" % mpiexec_path)
self.cfg.update(
'configopts', "-DMPIEXEC_NUMPROC_FLAG=%s" %
self.cfg.get('mpiexec_numproc_flag'))
self.cfg.update('configopts',
"-DNUMPROC=%s" % mpi_numprocs)
elif self.cfg['runtest']:
raise EasyBuildError("'%s' not found in $PATH",
mpiexec)
else:
raise EasyBuildError("No value found for 'mpiexec'")
self.log.info(
"Using %s as MPI executable when testing, with numprocs flag '%s' and %s tasks",
mpiexec_path, self.cfg.get('mpiexec_numproc_flag'),
mpi_numprocs)
if LooseVersion(self.version) >= LooseVersion('2019'):
# Building the gmxapi interface requires shared libraries,
# this is handled in the class initialisation so --module-only works
self.cfg.update('configopts', "-DGMXAPI=ON")
if LooseVersion(self.version) >= LooseVersion('2020'):
# build Python bindings if Python is loaded as a dependency
python_root = get_software_root('Python')
if python_root:
bin_python = os.path.join(python_root, 'bin', 'python')
self.cfg.update('configopts',
"-DPYTHON_EXECUTABLE=%s" % bin_python)
self.cfg.update('configopts',
"-DGMX_PYTHON_PACKAGE=ON")
# Now patch GROMACS for PLUMED before cmake
if plumed_root:
if LooseVersion(self.version) >= LooseVersion('5.1'):
# Use shared or static patch depending on
# setting of self.cfg['build_shared_libs']
# and adapt cmake flags accordingly as per instructions
# from "plumed patch -i"
if self.cfg['build_shared_libs']:
mode = 'shared'
else:
mode = 'static'
plumed_cmd = plumed_cmd + ' -m %s' % mode
run_cmd(plumed_cmd, log_all=True, simple=True)
# prefer static libraries, if available
if self.cfg['build_shared_libs']:
self.cfg.update('configopts', "-DGMX_PREFER_STATIC_LIBS=OFF")
else:
self.cfg.update('configopts', "-DGMX_PREFER_STATIC_LIBS=ON")
# always specify to use external BLAS/LAPACK
self.cfg.update('configopts',
"-DGMX_EXTERNAL_BLAS=ON -DGMX_EXTERNAL_LAPACK=ON")
# disable GUI tools
self.cfg.update('configopts', "-DGMX_X11=OFF")
# convince to build for an older architecture than present on the build node by setting GMX_SIMD CMake flag
# it does not make sense for Cray, because OPTARCH is defined by the Cray Toolchain
if self.toolchain.toolchain_family() != toolchain.CRAYPE:
gmx_simd = self.get_gromacs_arch()
if gmx_simd:
if LooseVersion(self.version) < LooseVersion('5.0'):
self.cfg.update('configopts',
"-DGMX_CPU_ACCELERATION=%s" % gmx_simd)
else:
self.cfg.update('configopts',
"-DGMX_SIMD=%s" % gmx_simd)
# set regression test path
prefix = 'regressiontests'
if any([src['name'].startswith(prefix) for src in self.src]):
self.cfg.update(
'configopts',
"-DREGRESSIONTEST_PATH='%%(builddir)s/%s-%%(version)s' " %
prefix)
# enable OpenMP support if desired
if self.toolchain.options.get('openmp', None):
self.cfg.update('configopts', "-DGMX_OPENMP=ON")
else:
self.cfg.update('configopts', "-DGMX_OPENMP=OFF")
imkl_root = get_software_root('imkl')
if imkl_root:
# using MKL for FFT, so it will also be used for BLAS/LAPACK
imkl_include = os.path.join(imkl_root, 'mkl', 'include')
self.cfg.update(
'configopts',
'-DGMX_FFT_LIBRARY=mkl -DMKL_INCLUDE_DIR="%s" ' %
imkl_include)
libs = os.getenv('LAPACK_STATIC_LIBS').split(',')
mkl_libs = [
os.path.join(os.getenv('LAPACK_LIB_DIR'), lib)
for lib in libs if lib != 'libgfortran.a'
]
mkl_libs = ['-Wl,--start-group'] + mkl_libs + [
'-Wl,--end-group -lpthread -lm -ldl'
]
self.cfg.update('configopts',
'-DMKL_LIBRARIES="%s" ' % ';'.join(mkl_libs))
else:
for libname in ['BLAS', 'LAPACK']:
libdir = os.getenv('%s_LIB_DIR' % libname)
if self.toolchain.toolchain_family() == toolchain.CRAYPE:
libsci_mpi_mp_lib = glob.glob(
os.path.join(libdir, 'libsci_*_mpi_mp.a'))
if libsci_mpi_mp_lib:
self.cfg.update(
'configopts', '-DGMX_%s_USER=%s' %
(libname, libsci_mpi_mp_lib[0]))
else:
raise EasyBuildError(
"Failed to find libsci library to link with for %s",
libname)
else:
# -DGMX_BLAS_USER & -DGMX_LAPACK_USER require full path to library
libs = os.getenv('%s_STATIC_LIBS' % libname).split(',')
libpaths = [
os.path.join(libdir, lib) for lib in libs
if lib != 'libgfortran.a'
]
self.cfg.update(
'configopts', '-DGMX_%s_USER="******"' %
(libname, ';'.join(libpaths)))
# if libgfortran.a is listed, make sure it gets linked in too to avoiding linking issues
if 'libgfortran.a' in libs:
env.setvar(
'LDFLAGS', "%s -lgfortran -lm" %
os.environ.get('LDFLAGS', ''))
# no more GSL support in GROMACS 5.x, see http://redmine.gromacs.org/issues/1472
if LooseVersion(self.version) < LooseVersion('5.0'):
# enable GSL when it's provided
if get_software_root('GSL'):
self.cfg.update('configopts', "-DGMX_GSL=ON")
else:
self.cfg.update('configopts', "-DGMX_GSL=OFF")
# include flags for linking to zlib/XZ in $LDFLAGS if they're listed as a dep;
# this is important for the tests, to correctly link against libxml2
for dep, link_flag in [('XZ', '-llzma'), ('zlib', '-lz')]:
root = get_software_root(dep)
if root:
libdir = get_software_libdir(dep)
ldflags = os.environ.get('LDFLAGS', '')
env.setvar(
'LDFLAGS', "%s -L%s %s" %
(ldflags, os.path.join(root, libdir), link_flag))
# complete configuration with configure_method of parent
out = super(EB_GROMACS, self).configure_step()
# for recent GROMACS versions, make very sure that a decent BLAS, LAPACK and FFT is found and used
if LooseVersion(self.version) >= LooseVersion('4.6.5'):
patterns = [
r"Using external FFT library - \S*",
r"Looking for dgemm_ - found",
r"Looking for cheev_ - found",
]
for pattern in patterns:
regex = re.compile(pattern, re.M)
if not regex.search(out):
raise EasyBuildError(
"Pattern '%s' not found in GROMACS configuration output.",
pattern)
def configure_step(self):
"""Configure Python package build/install."""
if self.python_cmd is None:
self.prepare_python()
if self.sitecfg is not None:
# used by some extensions, like numpy, to find certain libs
finaltxt = self.sitecfg
if self.sitecfglibdir:
repl = self.sitecfglibdir
finaltxt = finaltxt.replace('SITECFGLIBDIR', repl)
if self.sitecfgincdir:
repl = self.sitecfgincdir
finaltxt = finaltxt.replace('SITECFGINCDIR', repl)
self.log.debug("Using %s: %s" % (self.sitecfgfn, finaltxt))
try:
if os.path.exists(self.sitecfgfn):
txt = open(self.sitecfgfn).read()
self.log.debug("Found %s: %s" % (self.sitecfgfn, txt))
config = open(self.sitecfgfn, 'w')
config.write(finaltxt)
config.close()
except IOError:
raise EasyBuildError("Creating %s failed", self.sitecfgfn)
# conservatively auto-enable checking of $LDSHARED if it is not explicitely enabled or disabled
# only do this for sufficiently recent Python versions (>= 3.7 or Python 2.x >= 2.7.15)
if self.cfg.get('check_ldshared') is None:
pyver = det_python_version(self.python_cmd)
recent_py2 = pyver.startswith(
'2') and LooseVersion(pyver) >= LooseVersion('2.7.15')
if recent_py2 or LooseVersion(pyver) >= LooseVersion('3.7'):
self.log.info(
"Checking of $LDSHARED auto-enabled for sufficiently recent Python version %s",
pyver)
self.cfg['check_ldshared'] = True
else:
self.log.info(
"Not auto-enabling checking of $LDSHARED, Python version %s is not recent enough",
pyver)
# ensure that LDSHARED uses CC
if self.cfg.get('check_ldshared', False):
curr_cc = os.getenv('CC')
python_ldshared = get_config_vars('LDSHARED')[0]
if python_ldshared and curr_cc:
if python_ldshared.split(' ')[0] == curr_cc:
self.log.info(
"Python's value for $LDSHARED ('%s') uses current $CC value ('%s'), not touching it",
python_ldshared, curr_cc)
else:
self.log.info(
"Python's value for $LDSHARED ('%s') doesn't use current $CC value ('%s'), fixing",
python_ldshared, curr_cc)
env.setvar("LDSHARED", curr_cc + " -shared")
else:
if curr_cc:
self.log.info(
"No $LDSHARED found for Python, setting to '%s -shared'",
curr_cc)
env.setvar("LDSHARED", curr_cc + " -shared")
else:
self.log.info(
"No value set for $CC, so not touching $LDSHARED either"
)
# creates log entries for python being used, for debugging
run_cmd("%s -V" % self.python_cmd, verbose=False, trace=False)
run_cmd("%s -c 'import sys; print(sys.executable)'" % self.python_cmd,
verbose=False,
trace=False)
# don't add user site directory to sys.path (equivalent to python -s)
# see https://www.python.org/dev/peps/pep-0370/
env.setvar('PYTHONNOUSERSITE', '1', verbose=False)
run_cmd("%s -c 'import sys; print(sys.path)'" % self.python_cmd,
verbose=False,
trace=False)
