diff --git a/docs/source/installation.rst b/docs/source/installation.rst index ebf41810..8d91ff86 100644 --- a/docs/source/installation.rst +++ b/docs/source/installation.rst @@ -33,28 +33,32 @@ Optional: - sella 2.0.2 - plumed 2.7.3 -From Source ------------ - -Use conda to install necessary packages and add executable **gdp** to PATH. +From Source, Conda or Pip +------------------------- .. code-block:: shell - # install packages - $ conda install ase dscribe joblib networkx tinydb pyyaml omegaconf h5py -c conda-forge - # download repository + # Create a python environment + + # Install the latest RELEASED version from anaconda + $ conda install gdpx -c conda-forge + + # or from pypi + $ pip install gdpx + + # Install the latest development version + # 1. download the MAIN branch $ git clone https://github.com/hsulab/GDPy.git - # copy package to conda lib if it is python3.10 - $ cp -r ./GDPy/GDPy $CONDA_PREFIX/lib/python3.10/site-packages/ - # copy executable to conda bin - $ cp ./GDPy/bin/gdp $CONDA_PREFIX/bin - -From Conda ----------- - -Coming... - -From Pip --------- - -Coming... + # or the DEV branch + $ git clone -b dev https://github.com/hsulab/GDPy.git + + # 2. Use pip to install the an editable version to + # the current environment + $ cd GDPy + $ pip install -e ./ + + # 3. Update the source code + $ cd GDPy + $ git fetch + $ git pull + \ No newline at end of file