From fd0176aa8ceb7bc9a761351300b3453cee50a038 Mon Sep 17 00:00:00 2001 From: Ahmed Ilyas Date: Thu, 14 Aug 2025 11:32:13 +0200 Subject: [PATCH 1/4] Update wheels.yml --- .github/workflows/wheels.yml | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/.github/workflows/wheels.yml b/.github/workflows/wheels.yml index feeb93b1..98ad9045 100644 --- a/.github/workflows/wheels.yml +++ b/.github/workflows/wheels.yml @@ -16,10 +16,10 @@ jobs: - name: Build wheels uses: pypa/cibuildwheel@v2.20.0 env: - # All PyPy builds are currently failing, CPython 3.6 and 3.13 are also failing - CIBW_SKIP: cp36-* cp313* pp* + # All PyPy builds are currently failing, CPython 3.6 is also failing + CIBW_SKIP: cp36-* pp* - uses: actions/upload-artifact@v4 with: name: cibw-wheels-${{ matrix.os }}-${{ strategy.job-index }} - path: ./wheelhouse/*.whl \ No newline at end of file + path: ./wheelhouse/*.whl From a5686b7d9895d1ef7ca4c30b683e410ff18c43a9 Mon Sep 17 00:00:00 2001 From: Ahmed Ilyas Date: Thu, 14 Aug 2025 16:01:10 +0200 Subject: [PATCH 2/4] Update pyproject.toml --- pyproject.toml | 2 ++ 1 file changed, 2 insertions(+) diff --git a/pyproject.toml b/pyproject.toml index 34356f9f..8c1ebd48 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -78,6 +78,8 @@ ignore = [ "PLW2901", # redefined-loop-name "PLR1714", # consider-using-in "PLR5501", # else-if-used + "PLC0415", # `import` should be at the top-level of a file + "PLW1641", # Object does not implement `__hash__` method ] fixable = ["ALL"] From 997ac2e48c8bd2107fa4315504c560643118ef42 Mon Sep 17 00:00:00 2001 From: Ahmed Ilyas Date: Thu, 14 Aug 2025 16:03:01 +0200 Subject: [PATCH 3/4] Update geometry.py --- matid/geometry/geometry.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/matid/geometry/geometry.py b/matid/geometry/geometry.py index 6aec8165..5311f9f1 100644 --- a/matid/geometry/geometry.py +++ b/matid/geometry/geometry.py @@ -1198,7 +1198,7 @@ def get_radii(radii, atomic_numbers=None) -> np.ndarray: elif radii == "vdw_covalent": radii = np.array( [ - vdw_radii[i] if vdw_radii[i] != np.nan else covalent_radii[i] + vdw_radii[i] if not np.isnan(vdw_radii[i]) else covalent_radii[i] for i in range(len(vdw_radii)) ] ) From 93e29ae58fb77ca0c9588922291130b73137cd80 Mon Sep 17 00:00:00 2001 From: Ahmed Ilyas Date: Thu, 14 Aug 2025 16:04:15 +0200 Subject: [PATCH 4/4] Update wheels.yml --- .github/workflows/wheels.yml | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/.github/workflows/wheels.yml b/.github/workflows/wheels.yml index 98ad9045..bb6a8975 100644 --- a/.github/workflows/wheels.yml +++ b/.github/workflows/wheels.yml @@ -14,10 +14,10 @@ jobs: - uses: actions/checkout@v4 - name: Build wheels - uses: pypa/cibuildwheel@v2.20.0 + uses: pypa/cibuildwheel@v3.1.3 env: - # All PyPy builds are currently failing, CPython 3.6 is also failing - CIBW_SKIP: cp36-* pp* + # All PyPy builds are currently failing, CPython 3.6 and 3.14t is also failing + CIBW_SKIP: cp36-* pp* cp14t* - uses: actions/upload-artifact@v4 with: