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update doc (#84)
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README.md

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@@ -36,7 +36,7 @@ The dependent C library `pyscfadlib` can be compiled from source following the i
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`numpy`, `scipy`,
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`pyscf>=2.3.0`,
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`pyscfadlib>=0.1.11`, and
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`jax==0.7.0`.
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`jax>=0.7.0,<0.8`.
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Citing PySCFAD
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--------------

doc/source/getting_started/install.rst

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@@ -8,7 +8,7 @@ Installation
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Python version support
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----------------------
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Officially Python 3.10, 3.11, 3.12, and 3.13.
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Officially Python 3.11, 3.12, and 3.13.
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Installing from PyPI
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--------------------
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cd $HOME/pyscfad
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pip install -e .
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Installing pyscfadlib
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~~~~~~~~~~~~~~~~~~~~~
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Installing pyscfadlib (CPU only)
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~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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pyscfadlib is the C extension to pyscfad that provides efficient gradient backpropagation implementations.
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Similarly, one can install pyscfadlib locally via pip.
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`numpy <https://numpy.org>`_ >=1.17
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`scipy <https://scipy.org>`_ >=1.7
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`h5py <https://www.h5py.org/>`_ >=2.7
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`jax <https://jax.readthedocs.io/en/latest/>`_ ==0.4.35
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`jax <https://jax.readthedocs.io/en/latest/>`_ >=0.7.0,<0.8
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`pyscf <https://pyscf.org/>`_ >=2.3.0
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`pyscfadlib <https://pypi.org/project/pyscfadlib/>`_ >=0.1.4
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`pyscfadlib <https://pypi.org/project/pyscfadlib/>`_ >=0.1.10
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===================================================== ==================
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.. note::
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Since jax version 0.4.36, the tracing machinery has been modified
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to eliminate data-dependent tracing, which conflicts with pyscfad's flexibility.
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A comprehensive update to ensure compatibility with later jax versions will be
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introduced in the future pyscfad 0.2 release.

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