From dcf8dd5385ea203665e7dab17e895287c6104bf7 Mon Sep 17 00:00:00 2001 From: Jakub Kropacek Date: Mon, 8 Aug 2022 12:29:19 +0200 Subject: [PATCH] new file: p/phonopy/phonopy-2.15.0-conda.eb --- p/phonopy/phonopy-2.15.0-conda.eb | 27 +++++++++++++++++++++++++++ 1 file changed, 27 insertions(+) create mode 100644 p/phonopy/phonopy-2.15.0-conda.eb diff --git a/p/phonopy/phonopy-2.15.0-conda.eb b/p/phonopy/phonopy-2.15.0-conda.eb new file mode 100644 index 00000000..a12ff5ac --- /dev/null +++ b/p/phonopy/phonopy-2.15.0-conda.eb @@ -0,0 +1,27 @@ +# IT4Innovations 2021 +# JK + +easyblock = "Conda" + +name = 'phonopy' +version = '2.15.0' +versionsuffix = '-conda' + +homepage = 'http://phonopy.sourceforge.net/phono3py/index.html' +description = """This software calculates phonon-phonon interaction related properties""" + +toolchain = SYSTEM + +dependencies = [ + ('Anaconda3', '2021.05'), +] + +requirements = "%(namelower)s numpy scipy h5py pyyaml matplotlib-base spglib" +channels = ['conda-forge'] + +sanity_check_paths = { + 'files': ['bin/phonopy'], + 'dirs': ['bin', 'lib'] +} + +moduleclass = 'phys'