lukasplevac/easyconfigs-it4i
1
0
Fork 0
mirror of https://code.it4i.cz/sccs/easyconfigs-it4i.git synced 2025-04-07 23:42:12 +01:00
Code Issues Packages Projects Releases Wiki Activity

new file: p/phono3py/phono3py-2.4.1-conda.eb

Browse Source 
new file:   p/phonopy/phonopy-2.16.3-conda.eb
This commit is contained in:
Jakub Kropacek 2022-10-10 11:15:44 +02:00 committed by easybuild
parent 476ba859de
commit 7360357a83
2 changed files with 54 additions and 0 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

27
p/phono3py/phono3py-2.4.1-conda.eb Normal file
View File

@ -0,0 +1,27 @@
# IT4Innovations 2022
# JK
easyblock = "Conda"
name = 'phono3py'
version = '2.4.1'
versionsuffix = '-conda'
homepage = 'http://phonopy.sourceforge.net/phono3py/index.html'
description = """This software calculates phonon-phonon interaction related properties"""
toolchain = SYSTEM
dependencies = [
('Anaconda3', '2022.05'),
]
requirements = "%(namelower)s"
channels = ['atztogo']
sanity_check_paths = {
'files': ['bin/phono3py', 'bin/phonopy'],
'dirs': ['bin', 'lib']
}
moduleclass = 'phys'

27
p/phonopy/phonopy-2.16.3-conda.eb Normal file
View File

@ -0,0 +1,27 @@
# IT4Innovations 2022
# JK
easyblock = "Conda"
name = 'phonopy'
version = '2.16.3'
versionsuffix = '-conda'
homepage = 'http://phonopy.sourceforge.net/phono3py/index.html'
description = """This software calculates phonon-phonon interaction related properties"""
toolchain = SYSTEM
dependencies = [
('Anaconda3', '2022.05'),
]
requirements = "%(namelower)s numpy scipy h5py pyyaml matplotlib-base spglib"
channels = ['conda-forge']
sanity_check_paths = {
'files': ['bin/phonopy'],
'dirs': ['bin', 'lib']
}
moduleclass = 'phys'