update CI tests to py 3.12 (#858)

* update CI tests to py 3.12 * bump numpy to work with py 3.12 * bump numpy everywhere to work with py 3.12
FAIR-Chem · Sep 18, 2024 · d5be214 · d5be214
1 parent 8226618
commit d5be214
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Showing 10 changed files with 11 additions and 11 deletions.
diff --git a/.github/workflows/build.yml b/.github/workflows/build.yml
@@ -16,7 +16,7 @@ jobs:
       - name: Setup Python
         uses: actions/setup-python@v5
         with:
-          python-version: '3.11'
+          python-version: '3.12'
 
       - name: Install dependencies
         run: |

diff --git a/.github/workflows/build_docs.yml b/.github/workflows/build_docs.yml
@@ -22,7 +22,7 @@ jobs:
     - name: Set up Python
       uses: actions/setup-python@v5
       with:
-        python-version: 3.11
+        python-version: 3.12
 
     - name: Install dependencies
       run: |

diff --git a/.github/workflows/integration-test.yml b/.github/workflows/integration-test.yml
@@ -12,7 +12,7 @@ jobs:
     strategy:
       max-parallel: 10
       matrix:
-        python_version: ['3.9', '3.11']
+        python_version: ['3.9', '3.12']
 
     steps:
       - uses: actions/checkout@v4

diff --git a/.github/workflows/lint.yml b/.github/workflows/lint.yml
@@ -19,7 +19,7 @@ jobs:
       - name: Set up Python
         uses: actions/setup-python@v5
         with:
-          python-version: 3.11
+          python-version: 3.12
       - name: Install dependencies
         run: |
           python -m pip install --upgrade pip

diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml
@@ -15,7 +15,7 @@ jobs:
     strategy:
       max-parallel: 10
       matrix:
-        python_version: ['3.9', '3.11']
+        python_version: ['3.9', '3.12']
 
     steps:
       - uses: actions/checkout@v4
@@ -56,7 +56,7 @@ jobs:
         run: |
           pytest tests -vv --ignore=tests/demo/ocpapi/tests/integration/  --cov-report=xml --cov=fairchem -c ./packages/fairchem-core/pyproject.toml
 
-      - if: ${{ matrix.python_version == '3.11' }}
+      - if: ${{ matrix.python_version == '3.12' }}
         name: codecov-report
         uses: codecov/codecov-action@v4
         with:

diff --git a/packages/env.cpu.yml b/packages/env.cpu.yml
@@ -7,7 +7,7 @@ dependencies:
 - pytorch>=2.4
 - ase
 - e3nn>=0.5
-- numpy >=1.25.0,<2.0.0
+- numpy >=1.26.0,<2.0.0
 - pymatgen>=2023.10.3
 - numba
 - orjson

diff --git a/packages/env.gpu.yml b/packages/env.gpu.yml
@@ -8,7 +8,7 @@ dependencies:
 - pytorch>=2.4
 - ase
 - e3nn>=0.5
-- numpy >=1.25.0,<2.0.0
+- numpy >=1.26.0,<2.0.0
 - pymatgen>=2023.10.3
 - numba
 - orjson

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 >=1.25.0, <2.0.0",
+    "numpy >=1.26.0, <2.0.0",
     "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 >=1.25.0, <2.0.0",
+    "numpy >=1.26.0, <2.0.0",
     "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==1.23.5
+numpy==1.26.4
 ase==3.23.0