@@ -8,7 +8,7 @@ Installation
88Python version support
99----------------------
1010
11- Officially Python 3.10, 3. 11, 3.12, and 3.13.
11+ Officially Python 3.11, 3.12, and 3.13.
1212
1313Installing from PyPI
1414--------------------
@@ -51,8 +51,8 @@ the following command at the top directory of pyscfad.
5151 cd $HOME/pyscfad
5252 pip install -e .
5353
54- Installing pyscfadlib
55- ~~~~~~~~~~~~~~~~~~~~~
54+ Installing pyscfadlib (CPU only)
55+ ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
5656
5757pyscfadlib is the C extension to pyscfad that provides efficient gradient backpropagation implementations.
5858Similarly, one can install pyscfadlib locally via pip.
@@ -89,14 +89,8 @@ Package supported versions
8989`numpy <https://numpy.org >`_ >=1.17
9090`scipy <https://scipy.org >`_ >=1.7
9191`h5py <https://www.h5py.org/ >`_ >=2.7
92- `jax <https://jax.readthedocs.io/en/latest/ >`_ ==0.4.35
92+ `jax <https://jax.readthedocs.io/en/latest/ >`_ >=0.7.0,<0.8
9393`pyscf <https://pyscf.org/ >`_ >=2.3.0
94- `pyscfadlib <https://pypi.org/project/pyscfadlib/ >`_ >=0.1.4
94+ `pyscfadlib <https://pypi.org/project/pyscfadlib/ >`_ >=0.1.10
9595===================================================== ==================
9696
97- .. note ::
98-
99- Since jax version 0.4.36, the tracing machinery has been modified
100- to eliminate data-dependent tracing, which conflicts with pyscfad's flexibility.
101- A comprehensive update to ensure compatibility with later jax versions will be
102- introduced in the future pyscfad 0.2 release.
0 commit comments