The Dalton Project package can be conveniently downloaded and installed using pip:

$ pip install [--user] daltonproject

The Dalton Project will in general expect the external program executables to be in the PATH environment variable. The path to the executables can be added to PATH using the following command:

$ export PATH=/path/to/executable:${PATH}

An example of this could be for the Dalton program, where the program has been compiled in the build directory:

$ export PATH=/home/username/dalton/build:${PATH}

Note that the export command can be added to ~/.bashrc to automatically be run whenever a new terminal is opened.

Dalton program

The Dalton program can be downloaded from here. See the README for download and install instructions.

LSDalton Program

The LSDalton program can be downloaded from here. See the README for download and install instructions.


Developers can clone the Dalton Project git repository which is hosted on GitLab (https://gitlab/daltonproject/daltonproject):

$ git clone

Alternatively, you can fork the project on GitLab and the clone the fork. After the clone is downloaded you change directory to the root of the Dalton Project:

$ cd daltonproject

Then install the Dalton Project package in development mode which allows you to try out your changes immediately using the installed package:

$ pip install [--user] --editable .

Note that this will interfere with/overwrite any pip installed version of the Dalton Project. The requirements needed for development can be installed as:

$ pip install [--user] -r requirements.txt

Before making any changes, make sure that all tests pass by running the test suite (integration tests require that path to external libraries are in the PATH environment variable):

$ pytest

The code linting and formatting tools can be setup to work automatically via pre-commit hooks. To setup the pre-commit hooks run the following from the root of the Dalton Project directory:

$ pip install [--user] pre-commit
$ pre-commit install

During a git commit, if any pre-commit hook fails, mostly you will simply need to git add the affected files and git commit again, because most tools will automatically reformat the files.