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