From 8931c0dd4f959b321f6bfaa89cb2c424588b0390 Mon Sep 17 00:00:00 2001 From: Easy Build <easybuild@login4.smc.salomon.it4i.cz> Date: Thu, 4 Jan 2018 14:00:04 +0100 Subject: [PATCH] Thu, 04 Jan 2018 14:00:04 +0100 --- salomon.csv | 4 ++-- salomon.md | 5 +++-- 2 files changed, 5 insertions(+), 4 deletions(-) diff --git a/salomon.csv b/salomon.csv index 4b7f9f1a..9d82fd92 100644 --- a/salomon.csv +++ b/salomon.csv @@ -1188,15 +1188,16 @@ phono3py/1.11.13.35-intel-2017a-Python-2.7.13,2 phonopy/1.11.6.7-intel-2015b-Python-2.7.9,2 phonopy/1.11.12.5-intel-2015b-Python-2.7.9,2 phonopy/1.11.12.5-Python-2.7.13-base,2 +ase/3.15.0-Py-3.6,2 cycler/0.10.0-Py-3.6,2 matplotlib/2.1.1-Py-3.6,2 numpy/1.13.3-Py-3.6,2 pyparsing/2.2.0-Py-3.6,2 python-dateutil/2.6.1-Py-3.6,2 pytz/2017.3-Py-3.6,2 +scipy/1.0.0-Py-3.6,2 six/1.11.0-Py-2.7,2 six/1.11.0-Py-3.6,2 -six/1.11.0-Python-3.6.2-base,2 eudev/3.1.5-foss-2016a,2 eudev/3.1.5-intel-2016a,2 hwloc/1.5-GCC-4.4.7-system,2 @@ -1657,6 +1658,5 @@ pixman/0.32.6-foss-2015b,2 pixman/0.32.6-intel-2015b,2 pixman/0.32.6,2 pixman/0.34.0,2 -python-dateutil/2.6.1-Python-3.6.2-base,2 scikit-image/0.12.3-Python-2.7.13,2 seekpath/1.5.0-Python-2.7.13-base,2 diff --git a/salomon.md b/salomon.md index 9f3ddaf1..5b36e531 100644 --- a/salomon.md +++ b/salomon.md @@ -354,11 +354,12 @@ | Module | Description | | ------ | ----------- | +| [ase](https://wiki.fysik.dtu.dk/ase/) | ASE is a python package providing an open source Atomic Simulation Environment in the Python scripting language. | | [cycler](https://matplotlib.org/cycler) | Composable style cycles. | | [matplotlib](http://matplotlib.org) | matplotlib is a python 2D plotting library which produces publication quality figures in a variety of hardcopy formats and interactive environments across platforms. matplotlib can be used in python scripts, the python and ipython shell, web application servers, and six graphical user interface toolkits. | | [numpy](http://www.numpy.org) | NumPy is the fundamental package for scientific computing with Python. It contains among other things: a powerful N-dimensional array object, sophisticated (broadcasting) functions, tools for integrating C/C++ and Fortran code, useful linear algebra, Fourier transform, and random number capabilities. Besides its obvious scientific uses, NumPy can also be used as an efficient multi-dimensional container of generic data. Arbitrary data-types can be defined. This allows NumPy to seamlessly and speedily integrate with a wide variety of databases. | | [pyparsing](http://pyparsing.wikispaces.com) | The pyparsing module provides a library of classes that client code uses to construct the grammar directly in Python code. | -| [python-dateutil](https://github.com/dateutil/dateutil) | Useful extensions to the standard Python datetime features | +| [python-dateutil](https://github.com/dateutil/dateutil) | Useful extensions to the standard Python datetime features. | | [pytz](http://pytz.sourceforge.net/) | pytz brings the Olson tz database into Python. This library allows accurate and cross platform timezone calculations using Python 2.4 or higher. | | [scipy](https://github.com/jupyter/testpath) | Test utilities for code working with files and commands | | [six](https://github.com/benjaminp/six) | Python 2 and 3 compatibility library. | @@ -506,7 +507,7 @@ | [PyGObject](http://www.pygtk.org/) | Python Bindings for GLib/GObject/GIO/GTK+ | | [PyGTK](http://www.pygtk.org/) | PyGTK lets you to easily create programs with a graphical user interface using the Python programming language. | | [PyQt](http://www.riverbankcomputing.co.uk/software/pyqt) | PyQt is a set of Python v2 and v3 bindings for Digia's Qt application framework. | -| [python-dateutil](https://github.com/dateutil/dateutil) | Useful extensions to the standard Python datetime features | +| [python-dateutil](https://github.com/dateutil/dateutil) | Useful extensions to the standard Python datetime features. | | [scikit-image](http://scikit-learn.org/stable/index.html) | Scikit-learn integrates machine learning algorithms in the tightly-knit scientific Python world, building upon numpy, scipy, and matplotlib. As a machine-learning module, it provides versatile tools for data mining and analysis in any field of science and engineering. It strives to be simple and efficient, accessible to everybody, and reusable in various contexts. | | [seekpath](https://github.com/giovannipizzi/seekpath) | SeeK-path is a python module to obtain and visualize band paths in the Brillouin zone of crystal structures. The definition of k-point labels follows crystallographic convention, as defined and discussed in the HPKOT paper. Moreover, the Bravais lattice is detected properly using the spacegroup symmetry. Also the suggested band path provided in the HPKOT paper is returned. Systems without time-reversal and inversion-symmetry are also properly taken into account. | | [SUMO](http://www.sumo.dlr.de/wiki/Main_Page) | Simulation of Urban MObility (SUMO) is an open source, highly portable, microscopic and continuous road traffic simulation package designed to handle large road networks. | -- GitLab