From 78be593756b57429cf721e58e6ff520e2ea39d8f Mon Sep 17 00:00:00 2001 From: easybuild <easybuild@login2.bullx> Date: Thu, 15 Feb 2018 11:15:03 +0100 Subject: [PATCH] Thu, 15 Feb 2018 11:15:03 +0100 --- anselm.csv | 10 ++++++++++ anselm.md | 10 ++++++++++ 2 files changed, 20 insertions(+) diff --git a/anselm.csv b/anselm.csv index a2fa1726..286b3b8e 100644 --- a/anselm.csv +++ b/anselm.csv @@ -22,6 +22,7 @@ APR-util/1.5.4-foss-2015g,1 Armadillo/7.500.0-foss-2016a-Python-3.5.2,1 arpack-ng/3.3.0-foss-2016a,1 arpack-ng/3.5.0-intel-2017a,1 +ASE/3.15.0-Py-3.6,1 ASE/3.15.0-Python-2.7.13-base,1 astroid/1.5.3-Python-2.7.13-base,1 ATK/2.20.0,1 @@ -127,9 +128,11 @@ CentOS/6.9-GPU-shell,1 CentOS/6.9-shell,1 CentOS/7.3.1611,1 CentOS/7.3.1611-shell,1 +certifi/2018.1.18-Py-3.6,1 CGAL/4.8.1-intel-2017a,1 chicken/4.8.0.6,1 Clang/5.0.0-GCC-6.3.0-2.27,1 +click/6.7-Py-3.6,1 Clp/1.16.10-intel-2017a,1 cmake/2.8.11,1 cmake/2.8.11-mic,1 @@ -623,6 +626,7 @@ matlab/R2014a-EDU,1 matplotlib/1.5.1-Python-2.7.13-freetype-2.6.3,1 matplotlib/2.0.2-Python-2.7.13-base,1 matplotlib/2.0.2-Python-3.6.1-libpng-1.6.29,1 +matplotlib/2.1.1-Py-3.6,1 Maven/3.3.9,1 maxwell/3.0,1 memoryscape/3.4,1 @@ -836,6 +840,7 @@ PSBLAS/3.3.4-3-GCC-4.9.3-2.25,1 PSBLAS-ext/1.0-4-GCC-4.9.3-2.25,1 Py/3.6,1 pylint/1.7.2-Python-2.7.13-base,1 +pyparsing/2.2.0-Py-3.6,1 Python/2.7.11-intel-2015b,1 Python/2.7.11-intel-2017a,1 Python/2.7.12-intel-2017a,1 @@ -855,6 +860,7 @@ Python/3.5.2-intel-2017.00,1 Python/3.6.1,1 Python/3.6.2-base,1 Python/3.6.4-GCC-6.3.0-2.27-base,1 +python-dateutil/2.6.1-Py-3.6,1 PyYAML/3.12-Python-2.7.13-base,1 qemu/2.10.0,1 qemu/2.10.0-vde2,1 @@ -879,6 +885,7 @@ relion/1.2,1 relion/1.3,1 renderproto/0.11,1 RStudio/0.98.1103,1 +ruamel.yaml/0.15.35-Py-3.6,1 ruby/2.0.0-p247,1 Ruby/2.4.2,1 samtools/0.1.19,1 @@ -894,6 +901,7 @@ ScientificPython/2.9.4-intel-2016.01-Python-2.7.9,1 scikit-image/0.12.3-Python-2.7.13,1 scikit-learn/0.18.2-Python-3.6.1,1 scipy/0.19.1-Python-2.7.13-base,1 +scipy/1.0.0-Py-3.6,1 scite/3.4.3,1 SCons/2.3.6-foss-2015g-Python-2.7.9,1 Score-P/2.0.1-foss-2016a,1 @@ -906,10 +914,12 @@ Singularity/2.3.1,1 Singularity/2.3.2,1 Singularity/2.4.2,1 SIONlib/1.6.1-tools,1 +six/1.11.0-Py-3.6,1 SLEPc/3.7.4-intel-2017a,1 snappy/1.1.3,1 snpEff/3.6,1 Spack/default,1 +spglib-python/1.10.2.4-Py-3.6,1 spGPU/master-GCC-4.9.3-2.25,1 SQLite/3.13.0,1 SQLite/3.13.0-intel-2017a,1 diff --git a/anselm.md b/anselm.md index 4fe64dea..57ff16c8 100644 --- a/anselm.md +++ b/anselm.md @@ -390,7 +390,17 @@ | 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. | +| [certifi](https://pypi.python.org/pypi/certifi) | Python package for providing Mozillas CA Bundle. | +| [click](https://pypi.python.org/pypi/click) | A simple wrapper around optparse for powerful command line utilities. | +| [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 needed for scientific computing with Python. | +| [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. | +| [ruamel.yaml](https://pypi.python.org/pypi/ruamel.yaml) | ruamel.yaml is a YAML parser/emitter that supports roundtrip preservation of comments, seq/map flow style, and map key order | +| [scipy](http://scipy.org) | SciPy (pronounced 'Sigh Pie') is open-source software for mathematics, science, and engineering. It includes modules for statistics, optimization, integration, linear algebra, Fourier transforms, signal and image processing, ODE solvers, and more. | +| [six](https://github.com/benjaminp/six) | Python 2 and 3 compatibility library. | +| [spglib-python](https://pypi.python.org/pypi/spglib) | Spglib for Python. Spglib is a library for finding and handling crystal symmetries written in C. | ## System -- GitLab