$ conda install -c conda-forge -c mosdef -c omnia mbuild
Alternatively you can add all the required channels to your
after which you can simply install without specifying the channels:
$ conda config --add channels omnia $ conda config --add channels mosdef $ conda config --add channels conda-forge $ conda install mbuild
The order in which channels are added matters:
be the highest priority as a result of being added last. In your
file, it should be listed first.
$ pip install mbuild
PACKMOL is not available on pip but can be installed from source or via conda.
Install an editable version from source¶
$ git clone https://github.com/mosdef-hub/mbuild $ cd mbuild $ pip install -e .
To make your life easier, we recommend that you use a pre-packaged Python distribution like Continuum’s Anaconda in order to get all of the dependencies.
Supported Python Versions¶
Python 3.6 and 3.7 are officially supported, including testing during development and packaging. Support for Python 2.7 has been dropped as of August 6, 2019. Other Python versions, such as 3.8 and 3.5 and older, may successfully build and function but no guarantee is made.
Testing your installation¶
py.test for unit testing. To run them simply type run the
following while in the base directory:
$ conda install pytest $ py.test -v