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new file: a/Automake/Automake-1.16.2-GCCcore-9.3.0.eb new file: a/Autotools/Autotools-20200321-GCCcore-9.3.0.eb new file: l/libevent/libevent-2.1.12-GCCcore-9.3.0.eb new file: n/NVHPC/NVHPC-21.2-OpenMPI-4.0.5.eb new file: n/NVHPC/NVHPC-21.2.eb new file: o/OpenMPI/OpenMPI-4.0.5-GCC-10.2.0-Java-13.0.1.eb new file: o/OpenMPI/OpenMPI-4.0.5-NVHPC-21.2.eb new file: p/phono3py/phono3py-1.22.2-conda.eb new file: u/UCX/UCX-1.9.0-GCCcore-9.3.0.eb
28 lines
535 B
Plaintext
28 lines
535 B
Plaintext
# IT4Innovations 2021
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# LK
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easyblock = "Conda"
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name = 'phono3py'
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version = '1.22.2'
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versionsuffix = '-conda'
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homepage = 'http://phonopy.sourceforge.net/phono3py/index.html'
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description = """This software calculates phonon-phonon interaction related properties"""
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toolchain = SYSTEM
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dependencies = [
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('Anaconda3', '2020.11'),
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]
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requirements = "%(namelower)s=%(version)s python=3.8"
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channels = ['atztogo']
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sanity_check_paths = {
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'files': ['bin/phono3py', 'bin/phonopy'],
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'dirs': ['bin', 'lib']
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}
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moduleclass = 'phys'
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