From 7a7e426c4cc25077ee6e0a541a15be944d61c0fd Mon Sep 17 00:00:00 2001 From: "Andrew S. Rosen" Date: Mon, 26 Feb 2024 14:29:39 -0800 Subject: [PATCH 1/3] Support `jax>=0.4.25` Closes #35. As noted in the [jax changelog](https://jax.readthedocs.io/en/latest/changelog.html#jax-0-4-25-feb-26-2024), the `jax.config` API has been removed. You are now supposed to `import jax` and then do `jax.config` to modify the config. That's what I've done in this PR. --- sella/__init__.py | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/sella/__init__.py b/sella/__init__.py index 9f73d4f..4e366d3 100644 --- a/sella/__init__.py +++ b/sella/__init__.py @@ -1,7 +1,8 @@ +import jax + from .optimize import IRC, Sella from .internal import Internals, Constraints -from jax.config import config -config.update("jax_enable_x64", True) +jax.config.update("jax_enable_x64", True) __all__ = ['IRC', 'Sella'] From 8f1f01b6daa9a1da9a9de040a1b2df89b917ff40 Mon Sep 17 00:00:00 2001 From: "Andrew S. Rosen" Date: Mon, 26 Feb 2024 14:36:48 -0800 Subject: [PATCH 2/3] Update requirements.txt --- requirements.txt | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/requirements.txt b/requirements.txt index 6c5ede2..52560bc 100644 --- a/requirements.txt +++ b/requirements.txt @@ -1,5 +1,5 @@ numpy>=1.14.0 scipy>=1.1.0 ase>=3.18.0 -jax>=0.2.3 -jaxlib>=0.1.56 \ No newline at end of file +jax>=0.4.20 +jaxlib>=0.1.56 From fb3f6e1572e123cecec7a76e94c842b5de96ac65 Mon Sep 17 00:00:00 2001 From: "Andrew S. Rosen" Date: Mon, 26 Feb 2024 14:38:55 -0800 Subject: [PATCH 3/3] Update requirements.txt --- requirements.txt | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/requirements.txt b/requirements.txt index 52560bc..aea6e91 100644 --- a/requirements.txt +++ b/requirements.txt @@ -2,4 +2,4 @@ numpy>=1.14.0 scipy>=1.1.0 ase>=3.18.0 jax>=0.4.20 -jaxlib>=0.1.56 +jaxlib>=0.4.20