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Enhance Score-P EasyBlock for future releases and better oneAPI support. #3548

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Jan 18, 2025
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Enhance Score-P EasyBlock for future releases and better oneAPI support. #3548

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05bda72
Enhance Score-P EasyBlock for future releases and better oneAPI support.
Thyre Dec 7, 2024
5ce8104
score_p: Pass dependencies to EasyBlock based on EasyConfig
Thyre Jan 16, 2025
5f15ca6
Add blank line for flake8
Thyre Jan 17, 2025
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63 changes: 39 additions & 24 deletions easybuild/easyblocks/s/score_p.py
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Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
##
# Copyright 2013-2024 Ghent University
# Copyright 2013-2025 Ghent University
#
# This file is part of EasyBuild,
# originally created by the HPC team of Ghent University (http://ugent.be/hpc/en),
Expand All @@ -24,13 +24,14 @@
##
"""
EasyBuild support for software using the Score-P configuration style (e.g., Cube, OTF2, Scalasca, and Score-P),
implemented as an easyblock.
implemented as an EasyBlock.

@author: Kenneth Hoste (Ghent University)
@author: Bernd Mohr (Juelich Supercomputing Centre)
@author: Markus Geimer (Juelich Supercomputing Centre)
@author: Alexander Grund (TU Dresden)
@author: Christian Feld (Juelich Supercomputing Centre)
@author: Jan Andre Reuter (Juelich Supercomputing Centre)
"""
import os

Expand All @@ -48,11 +49,10 @@ class EB_Score_minus_P(ConfigureMake):
Support for building and installing software using the Score-P configuration style (e.g., Cube, OTF2, Scalasca,
and Score-P).
"""

def configure_step(self, *args, **kwargs):
"""Configure the build, set configure options for compiler, MPI and dependencies."""

if LooseVersion(self.version) >= LooseVersion('8.0') and LooseVersion(self.version) < LooseVersion('8.5'):
if LooseVersion('8.0') <= LooseVersion(self.version) < LooseVersion('8.5'):
# Fix an issue where the configure script would fail if certain dependencies are installed in a path
# that includes "yes" or "no", see https://gitlab.com/score-p/scorep/-/issues/1008.
yes_no_regex = [
Expand All @@ -71,8 +71,8 @@ def configure_step(self, *args, **kwargs):
# Score-P's configure magic...
unset_env_vars(['CPPFLAGS', 'LDFLAGS', 'LIBS'])

# On non-cross-compile platforms, specify compiler and MPI suite explicitly. This is much quicker and safer
# than autodetection. In Score-P build-system terms, the following platforms are considered cross-compile
# On non-cross-compile platforms, specify compiler and MPI suite explicitly. This is much quicker and safer
# than autodetection. In Score-P build-system terms, the following platforms are considered cross-compile
# architectures:
#
# - Cray XT/XE/XK/XC series
Expand All @@ -82,7 +82,8 @@ def configure_step(self, *args, **kwargs):
# Of those, only Cray is supported right now.
tc_fam = self.toolchain.toolchain_family()
if tc_fam != toolchain.CRAYPE:
# since 2022/12 releases: --with-nocross-compiler-suite=(gcc|ibm|intel|oneapi|nvhpc|pgi|clang|aocc|amdclang)
# --with-nocross-compiler-suite=(gcc|ibm|intel|oneapi|nvhpc|pgi|clang| \
# aocc|amdclang|cray)
comp_opts = {
# assume that system toolchain uses a system-provided GCC
toolchain.SYSTEM: 'gcc',
Expand All @@ -102,6 +103,11 @@ def configure_step(self, *args, **kwargs):
}
if LooseVersion(self.version) < LooseVersion(nvhpc_since.get(self.name, '0')):
comp_opts[toolchain.NVHPC] = 'pgi'
# Switch to oneAPI for toolchains using oneAPI variants as default.
# This may result in installations without Fortran compiler instrumentation support,
# if this is chosen before 2024.0.0, as prior versions did not support the required flags.
if self.toolchain.options.get('oneapi', None) is True:
comp_opts[toolchain.INTELCOMP] = 'oneapi'

comp_fam = self.toolchain.comp_family()
if comp_fam in comp_opts:
Expand All @@ -110,8 +116,9 @@ def configure_step(self, *args, **kwargs):
raise EasyBuildError("Compiler family %s not supported yet (only: %s)",
comp_fam, ', '.join(comp_opts.keys()))

# --with-mpi=(bullxmpi|hp|ibmpoe|intel|intel2|intelpoe|lam|mpibull2|mpich|mpich2|mpich3|openmpi|
# platform|scali|sgimpt|sun)
# --with-mpi=(bullxmpi|cray|hp|ibmpoe|intel|intel2|intel3|intelpoe|lam|
# mpibull2|mpich|mpich2|mpich3|mpich4|openmpi|openmpi3| \
# platform|scali|sgimpt|sgimptwrapper|spectrum|sun)
#
# Notes:
# - intel: Intel MPI v1.x (ancient & unsupported)
Expand All @@ -125,12 +132,13 @@ def configure_step(self, *args, **kwargs):
# safe to use 'mpich3' for all supported versions although MVAPICH2 is based on MPICH v3.x
# only since v1.9b.
#
# With minimal toolchains, packages using this easyblock may be built with a non-MPI toolchain (e.g., OTF2).
# With minimal toolchains, packages using this EasyBlock may be built with a non-MPI toolchain (e.g., OTF2).
# In this case, skip passing the '--with-mpi' option.
mpi_opts = {
toolchain.INTELMPI: 'intel2',
toolchain.OPENMPI: 'openmpi',
toolchain.MPICH: 'mpich3', # In EB terms, MPICH means MPICH 3.x
# In EB terms, MPICH means MPICH 3.x
toolchain.MPICH: 'mpich3',
toolchain.MPICH2: 'mpich2',
toolchain.MVAPICH2: 'mpich3',
}
Expand All @@ -151,27 +159,34 @@ def configure_step(self, *args, **kwargs):
'binutils': ['--with-libbfd-include=%s/include',
'--with-libbfd-lib=%%s/%s' % get_software_libdir('binutils', fs=['libbfd.a'])],
'libunwind': ['--with-libunwind=%s'],
# Older versions use Cube
'Cube': ['--with-cube=%s/bin'],
# Recent versions of Cube are split into CubeLib and CubeW(riter)
'CubeLib': ['--with-cubelib=%s/bin'],
'CubeWriter': ['--with-cubew=%s/bin'],
'CUDA': ['--enable-cuda', '--with-libcudart=%s'],
'GOTCHA': ['--with-libgotcha=%s'],
'OTF2': ['--with-otf2=%s/bin'],
'OPARI2': ['--with-opari2=%s/bin'],
'PAPI': ['--with-papi-header=%s/include', '--with-papi-lib=%%s/%s' % get_software_libdir('PAPI')],
'PDT': ['--with-pdt=%s/bin'],
'Qt': ['--with-qt=%s'],
# Used for CubeGUI. As EasyBuild splits Qt versions into separate EasyConfig names, we need to specify all
# supported Qt versions. EasyConfigs should only use one of them.
'Qt': ['--with-qt=%s/bin'],
'Qt5': ['--with-qt=%s/bin'],
'Qt6': ['--with-qt=%s/bin'],
'SIONlib': ['--with-sionlib=%s/bin'],
}
for (dep_name, dep_opts) in deps.items():
dep_root = get_software_root(dep_name)
if dep_root:
for dep_opt in dep_opts:
try:
dep_opt = dep_opt % dep_root
except TypeError:
pass # Ignore subtitution error when there is nothing to substitute
self.cfg.update('configopts', dep_opt)

# Go through all dependencies of passed EasyConfig to determine which flags to pass
# explicitly to configure.
ec_explicit_deps = [dep for dep in self.cfg.all_dependencies if dep['name'] in deps.keys()]
for dep in ec_explicit_deps:
dep_root = get_software_root(dep['name'])
configure_opts = deps[dep['name']]
for configure_opt in configure_opts:
try:
configure_opt = configure_opt % dep_root
except TypeError:
# Ignore substitution error when there is nothing to substitute
pass
self.cfg.update('configopts', configure_opt)

super(EB_Score_minus_P, self).configure_step(*args, **kwargs)