[PyFR] [package list]

PyFR/2.1-cpeGNU-25.03-rocm (PyFR-2.1-cpeGNU-25.03-rocm.eb)

Install with the EasyBuild-user module:

eb PyFR-2.1-cpeGNU-25.03-rocm.eb -r

To access module help after installation and get reminded for which stacks and partitions the module is installed, use module spider PyFR/2.1-cpeGNU-25.03-rocm.

EasyConfig:

# Created for LUMI by Orian Louant
easyblock = 'PythonBundle'

local_ROCm_version =         '6.3.4'

name =          'PyFR'
version =       '2.1'
versionsuffix = '-rocm'

# Central stack packages
local_Mako_version =         '1.3.10'        # https://pypi.org/project/Mako/
local_METIS_version =        '5.1.0'         # https:/http://glaros.dtc.umn.edu/gkhome/metis/metis/download

# Contrib packages
local_h5py_version =         '3.11.0'        # https://github.com/h5py/h5py/releases
local_libspatialindex_version = '2.1.0'      # https://github.com/libspatialindex/libspatialindex/releases

# Local packages
local_pathspec_version          = '0.12.1'
local_trove_classifiers_version = '2025.12.1.14'
local_hatchling_version         = '1.25.0'
local_hatch_vcs_version         = '0.4.0' 
local_platformdirs_version      = '4.5.1'
local_GiMMiK_version            = '3.2.1'
local_Rtree_version             = '1.3.0'
local_pytools_version           = '2024.1.13'

local_pathspec_checksum          = 'a482d51503a1ab33b1c67a6c3813a26953dbdc71c31dacaef9a838c4e29f5712'
local_trove_classifiers_checksum = 'a74f0400524fc83620a9be74a07074b5cbe7594fd4d97fd4c2bfde625fdc1633'
local_hatchling_checksum         = '7064631a512610b52250a4d3ff1bd81551d6d1431c4eb7b72e734df6c74f4262'
local_hatch_vcs_checksum         = '093810748fe01db0d451fabcf2c1ac2688caefd232d4ede967090b1c1b07d9f7' 
local_platformdirs_checksum      = '61d5cdcc6065745cdd94f0f878977f8de9437be93de97c1c12f853c9c0cdcbda'
local_pytools_checksum           = 'c78f5e29fa8492cd69860d4c89b5533e0bfbe694f2fa397b04eaf0cf92409d65'
local_GiMMiK_checksum            = '048644bd71497eb07e144f2c22fdee49ba23e1cde5fb954c3c30c4e3ea23687a'
local_RTree_checksum             = 'b36e9dd2dc60ffe3d02e367242d2c26f7281b00e1aaf0c39590442edaaadd916'
local_PyFR_checksum              = '979835c385f1c1acf02733edac4481843e44abc015edd67e4ee9a8f524a3da06'

homepage = 'https://www.pyfr.org/'

whatis = ['Description: PyFR is a framework for solving advection-diffusion type problems']

description = """
PyFR is an open-source Python based framework for solving advection-diffusion
type problems on streaming architectures using the Flux Reconstruction approach
of Huynh. The framework is designed to solve a range of governing systems on
mixed unstructured grids containing various element types. It is also designed
to target a range of hardware platforms via use of an in-built domain specific
language derived from the Mako templating engine. PyFR has the following 
capabilities:

 - Governing Equations - Euler, Navier Stokes
 - Dimensionality - 2D, 3D
 - Element Types - Triangles, Quadrilaterals, Hexahedra, Prisms, Tetrahedra, Pyramids
 - Platforms - CPU Clusters, Nvidia GPU Clusters, AMD GPU Clusters
 - Spatial Discretisation - High-Order Flux Reconstruction
 - Temporal Discretisation - Explicit and Implicit (via Dual Time-Stepping)
 - Precision - Single, Double
 - Mesh Files Imported - Gmsh (.msh)
 - Solution Files Exported - Unstructured VTK (.vtu, .pvtu)
"""

toolchain = {'name': 'cpeGNU', 'version': '25.03'}
toolchainopts = {'usempi': True}

builddependencies = [
  ('buildtools-python', '%(toolchain_version)s', '-cray-python%(pyshortver)s', True)
]

dependencies = [
    ('cray-python',                EXTERNAL_MODULE),
    (f'rocm/{local_ROCm_version}', EXTERNAL_MODULE),
    ('Mako',                       local_Mako_version),
    ('libspatialindex',            local_libspatialindex_version),
    ('h5py',                       local_h5py_version,            '-parallel'),
    ('METIS',                      local_METIS_version),

]

sanity_pip_check = False
unversioned_packages = ['trove-classifiers']

exts_default_options = {
    'source_urls':       [PYPI_SOURCE],
    'use_pip':           True,
    'use_pip_for_deps':  False,
    'download_dep_fail': True,
}

exts_list = [
    ('pathspec', local_pathspec_version, {
        'checksums' : [local_pathspec_checksum],
    }),
    ('trove_classifiers', local_trove_classifiers_version, {
        'checksums'   : [local_trove_classifiers_checksum],
    }),
    ('hatchling', local_hatchling_version, {
        'checksums' : [local_hatchling_checksum],
    }),
    ('hatch_vcs', local_hatch_vcs_version, {
        'checksums'   : [local_hatch_vcs_checksum],
    }),
    ('platformdirs', local_platformdirs_version, {
        'checksums' : [local_platformdirs_checksum],
    }),
    ('pytools', local_pytools_version, {
        'checksums' : [local_pytools_checksum],
    }),
    ('gimmik', local_GiMMiK_version, {
        'checksums' : [local_GiMMiK_checksum],
    }),
    ('rtree', local_Rtree_version, {
        'checksums' : [local_RTree_checksum],
    }),
    (name, version, {
        'source_tmpl' : 'v%(version)s.tar.gz',
        'source_urls' : ['https://github.com/PyFR/PyFR/archive/refs/tags/'],
        'checksums'   : [local_PyFR_checksum],
    }),
]

modluafooter = """
setenv("PYFR_METIS_LIBRARY_PATH", pathJoin(os.getenv("EBROOTMETIS"), "lib/libmetis.so"))
"""

moduleclass = 'phys'

[PyFR] [package list]