dgpost installation

Released versions of dgpost are available on the Python Package Index . Those can be installed using pip:

pip install dgpost

Note

With an optional argument --pre, you can install the latest tagged & built development versions of dgpost.

You can test whether dgpost has been installed correctly by running either of:

>>> dgpost --version
dgpost version 2.0a4

>>> dgpost
usage: dgpost [-h] [--version] [-v] [-q] [--patch PATCH] infile
dgpost: error: the following arguments are required: infile

Warning

If, after installation on Windows into a conda environment, the above commands crash with:

ImportError: DLL load failed while importing rdBase: The specified module could not be found.

You might have to re-install the rdkit library from a compatible source, such as conda-forge. Create a new environment, and install rdkit using:

conda create -n newEnvName python=3.9 rdkit -c conda-forge

Then install dgpost using pip as shown above.

Installation from source

To install dgpost from source on Github, , you first need to clone the repository and then you can install the development version of the package using pip:

git clone git@github.com:dgbowl/dgpost.git
cd dgpost
pip install -e .[testing,docs]

The targets [testing] and [docs] in the above are optional, and will install the required dependencies to run the test suite and build the documentation, respectively.