diff --git a/p/phonopy/phonopy-1.9.1-conda.eb b/p/phonopy/phonopy-1.9.1-conda.eb new file mode 100644 index 00000000..df073be0 --- /dev/null +++ b/p/phonopy/phonopy-1.9.1-conda.eb @@ -0,0 +1,27 @@ +# IT4Innovations +# LK 2023 + +easyblock = "Conda" + +name = 'phonopy' +version = '1.9.1' +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 numpy scipy h5py pyyaml matplotlib-base spglib" +channels = ['conda-forge'] + +sanity_check_paths = { + 'files': ['bin/phonopy'], + 'dirs': ['bin', 'lib'] +} + +moduleclass = 'phys'