From d03e08f41b54febcc1b9d8ed2d8c30377b98edd8 Mon Sep 17 00:00:00 2001
From: Jia-Xin Zhu <jiaxinzhu@stu.xmu.edu.cn>
Date: Thu, 10 Oct 2024 22:29:20 +0800
Subject: [PATCH 1/2] update requirements.txt for jax and numpy

- See usage for latest jax here: https://github.com/jax-ml/jax/discussions/18403
---
 requirements.txt | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/requirements.txt b/requirements.txt
index 796776b51..1980df549 100644
--- a/requirements.txt
+++ b/requirements.txt
@@ -1,4 +1,4 @@
-numpy>=1.18
+numpy>=1.18, <2
 mkdocs>=1.3.0
 mkdocs-autorefs>=0.4.1
 mkdocs-gen-files>=0.3.4
@@ -6,7 +6,7 @@ mkdocs-literate-nav>=0.4.1
 mkdocstrings>=0.19.0
 mkdocstrings-python>=0.7.0
 pygments>=2.12
-jax>=0.4.1
+jax>=0.4.1, <=0.4.20
 jaxlib>=0.4.1
 pymbar>=4.0.0
 tqdm

From 3e2527ddb48de8ae0288f46e2a287f3db71f184a Mon Sep 17 00:00:00 2001
From: Jia-Xin Zhu <jiaxinzhu@stu.xmu.edu.cn>
Date: Thu, 10 Oct 2024 22:38:00 +0800
Subject: [PATCH 2/2] add ver requirement for numpy in workflow

---
 .github/workflows/test_openmm_dmff_plugin.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/test_openmm_dmff_plugin.yml b/.github/workflows/test_openmm_dmff_plugin.yml
index a8b7a3c86..597d0acb2 100644
--- a/.github/workflows/test_openmm_dmff_plugin.yml
+++ b/.github/workflows/test_openmm_dmff_plugin.yml
@@ -19,7 +19,7 @@ jobs:
       - name: Install Dependencies
         run: |
           source $CONDA/bin/activate
-          conda create -n dmff_omm -y python=${{ matrix.python-version }} numpy openmm=7.7 -c conda-forge
+          conda create -n dmff_omm -y python=${{ matrix.python-version }} numpy=1.* openmm=7.7 -c conda-forge
           conda activate dmff_omm
           conda install -y libtensorflow_cc=2.9.1 -c conda-forge
           pip install setuptools==59.5.0