Thu, 15 Feb 2018 11:15:03 +0100

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

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