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new file: p/phono3py/phono3py-2.7.0-conda.eb

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modified:   p/phonopy/phonopy-2.20.0-conda.eb
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Lukas Krupcik 2023-09-25 09:24:37 +02:00
parent c5fd813c17
commit 2d321a93a5
2 changed files with 28 additions and 1 deletions
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p/phono3py/phono3py-2.7.0-conda.eb Normal file
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@ -0,0 +1,27 @@
# IT4Innovations
# LK 2023
easyblock = "Conda"
name = 'phono3py'
version = '2.7.0'
versionsuffix = '-conda'
homepage = 'http://phonopy.sourceforge.net/phono3py/index.html'
description = """This software calculates phonon-phonon interaction related properties"""
toolchain = SYSTEM
dependencies = [
('Anaconda3', '2023.07-2'),
]
requirements = "%(namelower)s"
channels = ['atztogo']
sanity_check_paths = {
'files': ['bin/phono3py', 'bin/phonopy'],
'dirs': ['bin', 'lib']
}
moduleclass = 'phys'

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p/phonopy/phonopy-2.20.0-conda.eb
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@ -13,7 +13,7 @@ description = """This software calculates phonon-phonon interaction related prop
toolchain = SYSTEM toolchain = SYSTEM
dependencies = [ dependencies = [
('Anaconda3', '2022.05'), ('Anaconda3', '2023.07-2'),
] ]
requirements = "%(namelower)s numpy scipy h5py pyyaml matplotlib-base spglib" requirements = "%(namelower)s numpy scipy h5py pyyaml matplotlib-base spglib"