From 307eb6723019ad981b2ad7dccbf72533e22ba18a Mon Sep 17 00:00:00 2001 From: Jinzhe Zeng Date: Tue, 13 Jan 2026 00:12:17 +0800 Subject: [PATCH] Revert "CI: pin numpy to <2.3 & rdkit to <2025.3.3 (#837)" This reverts commit 8f8e6a5838657b268def0a21f3b8752c2acbfbe1. --- .github/workflows/pyright.yml | 2 +- .github/workflows/test.yml | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/.github/workflows/pyright.yml b/.github/workflows/pyright.yml index 8855438d..03c2a317 100644 --- a/.github/workflows/pyright.yml +++ b/.github/workflows/pyright.yml @@ -13,7 +13,7 @@ jobs: with: python-version: '3.12' - run: pip install uv - - run: uv pip install --system -e .[amber,ase,pymatgen] 'rdkit<2025.3.3' openbabel-wheel + - run: uv pip install --system -e .[amber,ase,pymatgen] rdkit openbabel-wheel - uses: jakebailey/pyright-action@v2 with: version: 1.1.363 diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index f44d8657..eb0a21cd 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -26,7 +26,7 @@ jobs: **/pyproject.toml cache-suffix: "py${{ matrix.python-version }}" - name: Install dependencies - run: uv pip install --system .[test,amber,ase,pymatgen] coverage ./tests/plugin 'rdkit<2025.3.3' openbabel-wheel 'numpy<2.3' + run: uv pip install --system .[test,amber,ase,pymatgen] coverage ./tests/plugin rdkit openbabel-wheel - name: Test run: cd tests && coverage run --source=../dpdata -m unittest && cd .. && coverage combine tests/.coverage && coverage report - name: Run codecov