Installation

Python3 and a C-compiler are needed to build the underlying libraries.

Using pip

If you have root access, install the package for all users by typing in a terminal:

pip3 install numpy
pip3 install maicos

Alternatively, if you don’t have special privileges, install the package in your home directory by using the --user flag:

pip3 install --user numpy
pip3 install --user maicos

Bash autocompletion

You can include MAICoS to BASH suggestions by oppening your .bashrc or .profile file with your favorite text editor (here vim is used):

vim ~/.bashrc

and by adding

source $(maicos --bash_completion)

Development version

The development version of MAICoS can be compiled from source. NumPy and Cython are required:

pip3 install numpy
pip3 install cython

Then type in a terminal:

git clone git@gitlab.com:maicos-devel/maicos.git
pip3 install -e maicos/

Testing

You can run the tests from the maicos/tests/ directory. The tests rely on the pytest library, and use some work flows from NumPy and MDAnalysisTests. In a terminal, type:

pip3 install MDAnalysisTests

Then, type:

cd maicos/tests
pytest  --disable-pytest-warnings