update requirements to allow np 2.1

FAIR-Chem · Feb 7, 2025 · 40ef06d · 40ef06d
1 parent beba557
commit 40ef06d
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Showing 5 changed files with 7 additions and 7 deletions.
diff --git a/packages/env.cpu.yml b/packages/env.cpu.yml
@@ -7,9 +7,9 @@ dependencies:
 - pytorch==2.4.0
 - ase
 - e3nn>=0.5
-- numpy >=1.26.0,<2.0.0
+- numpy>=1.26.0,<2.2.0
 - pymatgen>=2023.10.3
-- numba
+- numba>=0.61.0
 - orjson
 - pip
 - pip:

diff --git a/packages/env.gpu.yml b/packages/env.gpu.yml
@@ -8,9 +8,9 @@ dependencies:
 - pytorch==2.4.0
 - ase
 - e3nn>=0.5
-- numpy >=1.26.0,<2.0.0
+- numpy>=1.26.0,<2.2.0
 - pymatgen>=2023.10.3
-- numba
+- numba>=0.61.0
 - orjson
 - pip
 - pip:

diff --git a/packages/fairchem-core/pyproject.toml b/packages/fairchem-core/pyproject.toml
@@ -10,7 +10,7 @@ dynamic = ["version", "readme"]
 requires-python = ">=3.9, <3.13"
 dependencies = [
     "torch==2.4",
-    "numpy >=1.26.0, <2.0.0",
+    "numpy >=1.26.0, <2.2.0",
     "lmdb",
     "ase",
     "pymatgen>=2023.10.3",

diff --git a/packages/fairchem-data-oc/pyproject.toml b/packages/fairchem-data-oc/pyproject.toml
@@ -8,7 +8,7 @@ dynamic = ["version", "readme"]
 description = "Code for generating adsorbate-catalyst input configurations"
 license = {text = "MIT License"}
 dependencies = [
-    "numpy >=1.26.0, <2.0.0",
+    "numpy",
     "scipy",
     "matplotlib",
     "ase",  #  this was pinned to 3.22.1

diff --git a/packages/requirements.txt b/packages/requirements.txt
@@ -1,3 +1,3 @@
 torch==2.4.1
-numpy==1.26.4
+numpy==2.1.3
 ase==3.24.0