diff --git a/docs/source/installation.rst b/docs/source/installation.rst index 28e44151..52be48b2 100644 --- a/docs/source/installation.rst +++ b/docs/source/installation.rst @@ -16,16 +16,25 @@ From conda-forge micromamba install meeko +Other tools like ``mamba`` or ``conda`` can also be used. Note that ``conda`` +is significantly slower. + From PyPI ------------------------- +--------- .. code-block:: bash pip install meeko -If using micromamba or a similar package manager, ``pip`` installs the package -in the active environment. +If using ``micromamba`` or a similar package manager, ``pip`` installs the +package in the active environment. The following dependencies required: +``python``, ``numpy``, ``scipy``, ``gemmi``, and ``rdkit``. + +Installing with ``pip`` does not check for missing dependencies or attempt to +resolve conflicts between versions. That information is included on the +conda-forge recipe and used by a package manager like +``mamba`` or ``micromamba``. From source diff --git a/setup.py b/setup.py index 18754284..ad99017f 100644 --- a/setup.py +++ b/setup.py @@ -31,8 +31,6 @@ def find_files(directory): packages=find_packages(), include_package_data=True, zip_safe=False, - install_requires=['numpy>=1.18', "rdkit", "scipy", "gemmi"], - python_requires='>=3.9, <3.12', license="LGPL-2.1", keywords=["molecular modeling", "drug design", "docking", "autodock"],