diff --git a/p/phono3py/phono3py-2.7.0-conda.eb b/p/phono3py/phono3py-2.7.0-conda.eb new file mode 100644 index 00000000..ce06cd17 --- /dev/null +++ b/p/phono3py/phono3py-2.7.0-conda.eb @@ -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' diff --git a/p/phonopy/phonopy-2.20.0-conda.eb b/p/phonopy/phonopy-2.20.0-conda.eb index b7a68886..dab57b42 100644 --- a/p/phonopy/phonopy-2.20.0-conda.eb +++ b/p/phonopy/phonopy-2.20.0-conda.eb @@ -13,7 +13,7 @@ description = """This software calculates phonon-phonon interaction related prop toolchain = SYSTEM dependencies = [ - ('Anaconda3', '2022.05'), + ('Anaconda3', '2023.07-2'), ] requirements = "%(namelower)s numpy scipy h5py pyyaml matplotlib-base spglib"