[QuEST] [package list]

QuEST/3.7.0-cpeGNU-23.09-prec2-rocm (QuEST-3.7.0-cpeGNU-23.09-prec2-rocm.eb)

Install with the EasyBuild-user module:

eb QuEST-3.7.0-cpeGNU-23.09-prec2-rocm.eb -r

To access module help after installation and get reminded for which stacks and partitions the module is installed, use module spider QuEST/3.7.0-cpeGNU-23.09-prec2-rocm.

EasyConfig:

# Written by Kurt Lust (kurt.lust@uantwerpen.be) for the LUMI project.
# Updated v3.7.0 and cpeGNU 23.09 by Orian Louant
#
# This EasyConfig file is offered as a courtasy to users of the LUMI system
# without any warranty as QuEST isn't really meant to be installed as a
# module.
#
# Please follow the instructions in this EasyConfig file to configure
# QuEST as you need it. There is currently no EasyBlock to guide you
# through the configuration process.
#

easyblock = 'CMakeMake'

name =          'QuEST'
version =       '3.7.0'
versionsuffix = '-prec2-rocm'

homepage = 'https://quest.qtechtheory.org/'

whatis = [
    'Description: Quantum Exact Simulation Toolkit, a high performance simulator of universal quantum circuits, state vectors and density matrices'
]

description = """
The Quantum Exact Simulation Toolkit is a high performance simulator of
universal quantum circuits, state vectors and density matrices. QuEST
can be used by both C and C++, is open source, multithreaded, distributed
and GPU-accelerated. Needing only compilation, QuEST is easy to run both
on laptops and supercomputers, where it can take advantage of multicore
and networked machines to quickly simulate circuits on many qubits.

Note that when using this installation you should carefully check the
configuration that was used to build the library, e.g., from the
EasyBuild recipe stored in $EBROOTQUEST/easybuild.
"""

usage = """
After loading the module, you can test the compilation of an example
program included with QuEST as follows:
  * Copy the sources from $EBROOTQUEST/examples to your working directory:
    cp $EBROOTQUEST/examples/tutorial_example.c .
  * Compile using the Cray compiler wrapper:
    cc tutorial_example.c -o demo -lQuEST
  * Run the demo executable that was generated in the previous step:
    ./demo
"""

docurls = [
    'Web-based documentation at https://quest.qtechtheory.org/docs/',
    'Web-based API information at https://quest-kit.github.io/QuEST/modules.html',
]

toolchain = {'name': 'cpeGNU', 'version': '23.09'}
# We specify mpi and OpenMP in the toolchainopts though it is not
# really needed as CMake will figure things out correctly from the
# configuration switches given to it.
toolchainopts = { 'pic': True}

sources = [
    {   # QuEST itself: https://github.com/QuEST-Kit/QuEST/archive/refs/tags/v3.7.0.tar.gz
        'filename':          'QuEST-%(version)s.tar.gz',
        'download_filename': 'v%(version)s.tar.gz',
        'source_urls':       ['https://github.com/QuEST-Kit/QuEST/archive/refs/tags'],
    },
]

builddependencies = [ # Create a reproducible build environment.
    ('buildtools', '%(toolchain_version)s', '', True),
]

dependencies = [
    ('rocm', EXTERNAL_MODULE),
]

preconfigopts  = 'sed -i \'s#${HIP_PATH}/cmake#${HIP_PATH}/lib/cmake/hip#\' %(builddir)s/QuEST-%(version)s/QuEST/CMakeLists.txt && '
preconfigopts += """cat >>%(builddir)s/QuEST-%(version)s/QuEST/CMakeLists.txt<<EOF
install(TARGETS QuEST DESTINATION lib)
install(FILES include/QuEST_complex.h DESTINATION include)
install(FILES include/QuEST.h DESTINATION include)
install(FILES include/QuEST_precision.h DESTINATION include)

EOF
"""

# The first one of the next options is very important to ensure proper compilation
# for the intended LUMI partition. The second one just produces a bit more information
# in the log files for debugging.
configopts  = '-DOVERWRITE_DEFAULT_COMPILER_OPTS=OFF -DCMAKE_VERBOSE_MAKEFILE=ON '
# Turn multithreading via OpenMP OFF (not compatible with GPU).
configopts += '-DMULTITHREADED=OFF '
# Turn MPI support OFF (not compatible with GPU).
configopts += '-DDISTRIBUTED=OFF '
# GPU options
configopts += '-DGPUACCELERATED=ON '
configopts += '-DUSE_HIP=ON '
configopts += '-DGPU_ARCH=gfx90a '
# PRecision: 1, 2 or 4 (the latter not supported in all configurations)
configopts += '-DPRECISION=2 '
configopts += '-DHIP_PATH=$ROCM_PATH '

# Only build the library through CMake
srcdir = 'QuEST'

# We need an askward construction here to copy from the source directories and not
# from the CMake build directories. As the location of the CMake build directory
# has already changed at least once in EasyBuild history, this may brake in
# future releases of EasyBuild.
postinstallcmds = [
    'cd ../QuEST-%(version)s; cp AUTHORS.txt LICENCE.txt README.md %(installdir)s',
    'cd ../QuEST-%(version)s; cp -r examples %(installdir)s',
]

sanity_check_paths = {
    'files': ['lib/libQuEST.%s' % SHLIB_EXT] +
             ['include/%s.h' %x for x in ['QuEST', 'QuEST_complex', 'QuEST_precision']],
    'dirs':  ['examples'],
}

moduleclass = 'lib'

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