Voro++/0.4.6-cpeGNU-26.03 (Voro++-0.4.6-cpeGNU-26.03.eb)

Install with the EasyBuild-user module:

eb Voro++-0.4.6-cpeGNU-26.03.eb -r

To access module help after installation and get reminded for which stacks and partitions the module is installed, use module spider Voro++/0.4.6-cpeGNU-26.03.

EasyConfig:

##
# Author:    Robert Mijakovic <robert.mijakovic@lxp.lu>
##
easyblock = 'ConfigureMake'

local_Voropp_version =       '0.4.6'         # https://math.lbl.gov/voro++/download/

name =    'Voro++'
version = local_Voropp_version

homepage = 'https://math.lbl.gov/voro++/'

whatis = [
    'Descriptiont: Voro++ is a software library for carrying out three-dimensional computations of the Voronoi tessellation.'
]

description = """
Voro++ is a software library for carrying out three-dimensional computations of
the Voronoi tessellation. A distinguishing feature of the Voro++ library is that
it carries out cell-based calculations, computing the Voronoi cell for each
particle individually. It is particularly well-suited for applications that
rely on cell-based statistics, where features of Voronoi cells (eg. volume,
centroid, number of faces) can be used to analyze a system of particles.

Note that this is unmaintained software and we cannot guarantee compatibility
with future compilers on LUMI.
"""

toolchain = {'name': 'cpeGNU', 'version': '26.03'}
toolchain_opts = {'pic': True}

# https://math.lbl.gov/voro++/download/dir/voro++-0.4.6.tar.gz
source_urls = [
    'https://math.lbl.gov/voro++/download/dir/',
    'https://download.lammps.org/thirdparty',
]
sources =   [SOURCELOWER_TAR_GZ]
checksums = ['ef7970071ee2ce3800daa8723649ca069dc4c71cc25f0f7d22552387f3ea437e']

build_deps = [
    ('buildtools',          '%(toolchain_version)s', '', SYSTEM),
    ('craype-accel-none',   EXTERNAL_MODULE),  # Avoid enabling OpenMP offload
]

# No configure
skip_steps = ['configure']

pre_build_opts = 'module unload cray-libsci cray-mpich xpmem rocm && '
pre_install_opts = pre_build_opts

# Override CXX and CFLAGS variables from Makefile
build_opts = 'CXX="$CXX" CFLAGS="$CXXFLAGS"'

# Override PREFIX variable from Makefile
install_opts = "PREFIX=%(installdir)s"

post_install_cmds = [
    'mkdir -p %(installdir)s/share/licenses/%(name)s',
    'cp LICENSE NEWS README %(installdir)s/share/licenses/%(name)s',   
]

sanity_check_paths = {
    'files': ['bin/voro++', 'lib/libvoro++.a', 'include/voro++/voro++.hh'],
    'dirs':  [],
}

sanity_check_cmds = [
    'voro++ --help',
]

env_mod_category = 'math'

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