Installation¶
The most straightforward method to download and install GloMPO into your Python environment is to install GloMPO directly using:
pip install git+https://github.com/mfgustavo/glompo
If you would like access to the test suite, examples, or wish to have a separate editable copy of the source code, you may want to download the code separately. This may be done directly from GitHub, or it may be cloned into a target directory using:
git clone https://github.com/mfgustavo/glompo.git
Installation is easy after download:
cd /path/to/glompo
pip install .
This will copy the GloMPO source code into your Python environment. If you are developing for GloMPO, you may prefer to install in developer mode:
cd /path/to/glompo
pip install -e .
This will not copy the source code and GloMPO will be read directly from the directory into which it was downloaded or extracted.
Optional Requirements¶
During installation, GloMPO only installs core requirements. However, many of its most useful abilities are optional extensions with other package requirements.
To install GloMPO with extra requirements:
pip install .[cma, checkpointing]
To install GloMPO with all (publicly available) extra requirements:
pip install .[all]
The full list of optional requirements:
| Install Key | Description |
|---|---|
| all | Installs all (publicly available) optional requirements. |
| checkpointing | Build checkpoints from which to resume runs. |
| cma | Add CMA-ES optimizer. |
| docs | Build documentation locally. |
| gfls | Add GFLS optimizer. |
| nevergrad | Add Nevergrad optimizer. |
| params | Add ReaxFF interface. |
| perturbation_generator | Access localized sampling generator. |
| system_stats | Track and print system loads. |
| testing | Run test suite locally. |
| plotting | Produce plots from optimization results. |
| video | Produce a MPEG-4 file of the optimization. |
Tests¶
You should confirm that everything is working correctly by running the tests in the tests folder. Running the tests requires pytest be installed to your Python environment. This is not installed automatically with GloMPO, but can be done with the testing install option.
cd /path/to/glompo
pytest
Note
Tests which require optional components will be automatically skipped if the required packages are not installed.
Note
If your tests fail please raise an issue as described in Raising Issues.