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29 lines
631 B
Plaintext
29 lines
631 B
Plaintext
# IT4Innovations
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# JK 2022
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easyblock = 'PackedBinary'
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name = 'mpi4pyscf'
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version = '0.3.1'
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homepage = 'https://github.com/pyscf/mpi4pyscf'
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description = """mpi4pyscf is a plugin for PySCF which enables MPI (Message Passing Interface) parallelism."""
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toolchain = {'name': 'foss', 'version': '2021a'}
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# clone from github and create an archive
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# instalace akorat prekopiruje f2py binarky :D
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sources = [SOURCE_TAR_GZ]
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extract_sources = True
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dependencies = [
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('Python', '3.9.5'),
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('mpi4py', '3.1.3'),
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('PySCF', '2.0.1'),
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]
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skipsteps = ['sanitycheck']
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modextrapaths = {'PYTHONPATH': 'mpi4pyscf'}
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moduleclass = 'mpi'
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