From f187d065aa014179fc20f07dfaffd356465db247 Mon Sep 17 00:00:00 2001 From: Easy Build <easybuild@login4.head.smc.salomon.it4i.cz> Date: Mon, 15 Apr 2019 13:15:03 +0200 Subject: [PATCH] Mon, 15 Apr 2019 13:15:03 +0200 --- salomon.csv | 6 ++++++ salomon.md | 1 + 2 files changed, 7 insertions(+) diff --git a/salomon.csv b/salomon.csv index c7a3981b..e83aa5ce 100644 --- a/salomon.csv +++ b/salomon.csv @@ -49,6 +49,7 @@ ATLAS/3.10.3-GCC-6.3.0-2.27-LAPACK-3.6.1,2 ATLAS/3.10.3-GCC-7.1.0-2.28-LAPACK-3.6.1,2 attrs/17.4.0-Py-2.7,2 attrs/17.4.0-Py-3.6,2 +attrs/19.1.0-Py-2.7,2 Autoconf/2.68,2 Autoconf/2.69,2 Autoconf/2.69-foss-2015g,2 @@ -218,6 +219,8 @@ DDT/4.2,2 DDT/5.0.1,2 Debian/8.0,2 decorator/4.2.1-Py-3.6,2 +decorator/4.4.0-Py-2.7,2 +deepdiff/3.3.0-Py-2.7,2 deMonNano/4.3.6,2 DGX-2/1.0,2 Digimat/5.0.1-COM,2 @@ -1168,6 +1171,7 @@ nettle/3.3-intel-2017a,2 nettle/3.4.1,2 networkx/1.11-Python-2.7.13,2 networkx/2.1-Py-3.6,2 +networkx/2.2-Py-2.7,2 NLopt/2.4.2,2 NLopt/2.4.2-intel-2017a,2 NodeJS/6.10.1-foss-2016a,2 @@ -1450,6 +1454,7 @@ pyspark/2.3.0-Py-3.6,2 pytest/3.3.2-Py-2.7,2 pytest/3.3.2-Py-3.6,2 pytest/4.3.0-Py-2.7,2 +pytest/4.4.0-Py-2.7,2 Python/2.7.11-intel-2015b,2 Python/2.7.11-intel-2017a,2 Python/2.7.13,2 @@ -1639,6 +1644,7 @@ SuiteSparse/4.4.5-intel-2015b-METIS-5.1.0,2 SuiteSparse/4.4.6-intel-2015b-ParMETIS-4.0.3,2 SuiteSparse/4.5.3-intel-2017a-ParMETIS-4.0.3,2 SuiteSparse/4.5.5-intel-2017a-METIS-5.1.0,2 +SuiteSparse/5.1.2-intel-2017c-METIS-5.1.0,2 SUMO/0.25.0-foss-2015g,2 SUMO/0.26.0-foss-2015g,2 SUMO/0.27.1-foss-2015g,2 diff --git a/salomon.md b/salomon.md index d2789812..ba30618f 100644 --- a/salomon.md +++ b/salomon.md @@ -416,6 +416,7 @@ | [cycler](https://matplotlib.org/cycler) | Composable style cycles. | | [dask](https://pypi.python.org/pypi/dask) | Parallel PyData with Task Scheduling. | | [decorator](https://pypi.python.org/pypi/decorator) | Better living through Python with decorators. | +| [deepdiff](https://pypi.org/project/deepdiff/) | Python 2 and 3 compatibility library. | | [dill](https://github.com/uqfoundation/dill) | dill extends python's pickle module for serializing and de-serializing python objects to the majority of the built-in python types. Serialization is the process of converting an object to a byte stream, and the inverse of which is converting a byte stream back to on python object hierarchy. | | [dist-keras](https://pypi.python.org/pypi/dist-keras) | Distributed Deep learning with Apache Spark with Keras. | | [DynaPhoPy](https://github.com/abelcarreras/DynaPhoPy) | Software to calculate crystal microscopic anharmonic properties from molecular dynamics (MD) using the normal-mode-decomposition technique. These properties include the phonon frequency shifts and linewidths, as well as the renormalized force constanst and thermal properties by using quasiparticle theory. This code includes interfaces for MD outputs from VASP and LAMMPS .PHONOPY code is used to obtain harmonic phonon modes. | -- GitLab