# IT4Innovations
# LK 2021

easyblock = 'PythonBundle'

name = 'SciPy-bundle'
version = '2020.11-AOCC-3.1.0'

homepage = 'https://python.org/'
description = "Bundle of Python packages for scientific software"

toolchain = {'name': 'OAMD', 'version': '2021a'}
toolchainopts = {'pic': True, 'lowopt': True}

builddependencies = [('hypothesis', '5.41.2', '', ('GCCcore', '10.2.0'))]

dependencies = [
    ('Python', '3.8.6', '', ('GCCcore', '10.2.0')),
    ('pybind11', '2.6.0', '', ('GCCcore', '10.2.0')),  # required by scipy
]

use_pip = True

preconfigopts = [ 'export MKL_DEBUG_CPU_TYPE=5 && ']

exts_default_options = {'source_urls': [PYPI_SOURCE]}

# order is important!
exts_list = [
    ('numpy', '1.19.4', {
        'source_tmpl': '%(name)s-%(version)s.zip',
        'patches': [
            'numpy-1.18.2-mkl.patch',
            'numpy-1.19.4_disable-broken-test.patch',
        ],
        'checksums': [
            '141ec3a3300ab89c7f2b0775289954d193cc8edb621ea05f99db9cb181530512',  # numpy-1.19.4.zip
            'ea25ad5c0148c1398d282f0424e642fb9815a1a80f4512659b018e2adc378bcf',  # numpy-1.18.2-mkl.patch
             #numpy-1.19.4_disable-broken-test.patch
            '9cc8bbd106ecba603254536101f53fdc200e81d43ca4800b5a84be9b645e9320',
        ],
    }),
    ('scipy', '1.5.4', {
        'checksums': ['4a453d5e5689de62e5d38edf40af3f17560bfd63c9c5bd228c18c1f99afa155b'],
    }),
    ('mpi4py', '3.0.3', {
        'checksums': ['012d716c8b9ed1e513fcc4b18e5af16a8791f51e6d1716baccf988ad355c5a1f'],
    }),
    ('numexpr', '2.7.1', {
        'checksums': ['b0d239d9827e1bcee08344fd05835823bc60aff97232e35a928214d03ff802b1'],
    }),
    ('Bottleneck', '1.3.2', {
        'checksums': ['20179f0b66359792ea283b69aa16366419132f3b6cf3adadc0c48e2e8118e573'],
    }),
    ('pandas', '1.1.4', {
        'checksums': ['a979d0404b135c63954dea79e6246c45dd45371a88631cdbb4877d844e6de3b6'],
        # strip out use of -Werror to avoid failing compilation due to Intel compiler warning
        'preinstallopts': """sed -i 's@extra_compile_args = \["-Werror"\]@extra_compile_args = []@g' setup.py && """,
    }),
    ('mpmath', '1.1.0', {
        'checksums': ['fc17abe05fbab3382b61a123c398508183406fa132e0223874578e20946499f6'],
    }),
    ('deap', '1.3.1', {
        'checksums': ['11f54493ceb54aae10dde676577ef59fc52d52f82729d5a12c90b0813c857a2f'],
    }),
]

sanity_pip_check = True

moduleclass = 'lang'