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remove dependencies from setup.py
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diogomart committed Dec 10, 2024
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15 changes: 12 additions & 3 deletions docs/source/installation.rst
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Expand Up @@ -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
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2 changes: 0 additions & 2 deletions setup.py
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Expand Up @@ -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"],
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