GMSO are listed in the file
can be installed in one line:
$ conda install -c omnia -c mosdef -c conda-forge --file requirements.txt
Alternatively you can add all the required channels to your
and then install dependencies.
$ conda config --add channels omnia $ conda config --add channels mosdef $ conda config --add channels conda-forge $ conda install --file requirements.txt
These commands will likely change a configuration file on your computer and
may affect installation of other packages in other projects you are working
on. However, the channel priority recommended is fairly common
conda-forge having the highest priority) and should
work well for most installations.
$ pip install -r requirements.txt
conda installation, this is less tested. Some upstream
dependencies may not be available on
PyPI but can be installed via
Install an editable version from source¶
Once all dependencies are installed, the
GMSO itself can be installed.
It is currently only available through its source code. It will be available
conda in the future.
$ git clone https://github.com/mosdef-hub/gmso.git $ cd gmso $ pip install -e .
Supported Python Versions¶
Python 3.7 is the recommend version for users. It is the only version on which development and testing consistently takes place. Older (3.6) and newer (3.8+) versions of Python 3 are likely to work but no guarantee is made and, in addition, some dependencies may not be available for other versions. No effort is made to support Python 2 because it is considered obsolete as of early 2020.
Testing your installation¶
py.test to execute its unit tests. To run them, first install some extra depdencies:
$ conda install --file requirements-test.txt
And then run the tests with the
$ py.test -v