1===================== 2Installing MDAnalysis 3===================== 4 5Quick installation instructions 6=============================== 7 8https://www.mdanalysis.org/pages/installation_quick_start/ 9 10 11From the Python package index (pip) 12----------------------------------- 13 14To install the latest stable release with pip 15http://www.pip-installer.org/en/latest/index.html do:: 16 17 pip install --upgrade MDAnalysis 18 19To run the test cases and examples, also install the unit tests (about 20 MiB in size):: 20 21 pip install --upgrade MDAnalysisTests 22 python -c 'import MDAnalysisTests; MDAnalysisTests.run()' 23 24(The tests can take a long time to run.) 25 26 27With conda 28---------- 29 30To install the lastest stable release with conda 31http://conda.pydata.org/docs/ do:: 32 33 conda config --add channels MDAnalysis 34 conda install mdanalysis 35 36To upgrade to the latest stable release. 37 38 conda update mdanalysis 39 40The conda packages currently only support serial calculations. If you 41plan to use the parallel OpenMP algorithms you need to install 42MDAnalysis with pip and have a working OpenMP installation. 43 44 45Help 46==== 47 48If you have any problems please read through the files INSTALL (this 49file) and README and check the MDAnalysis project pages at 50 51 https://www.mdanalysis.org 52 53in particular https://github.com/MDAnalysis/mdanalysis/wiki/Install 54and related pages. 55 56You can always ask questions on the MDAnalysis mailing list: 57 58 http://groups.google.com/group/mdnalysis-discussion 59 60People there are very happy to help. When posting please remember to 61mention the release of MDAnalysis you are trying to install (e.g. "tar 62file MDAnalysis-0.7.3 from website" or "commit deadbee1"), all the 63commands that you typed to install the package, and the full output 64(typically right from ``python setup.py build``). You should also 65mention your operating system (e.g. Ubuntu 14.04) and Python version 66(output from ``python --version``) so that we can better diagnose the 67problem. 68 69 70Installing from source 71====================== 72 73Source code is available at https://github.com/MDAnalysis/mdanalysis 74 75See http://wiki.mdanalysis.org/Install for further instructions. 76