From 758ddd53fc3c7d01a84f12b9bb35a64d4d94633b Mon Sep 17 00:00:00 2001 From: Qiming Sun Date: Fri, 13 Dec 2024 08:49:03 -0800 Subject: [PATCH 1/3] pep-625 compliance --- setup.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/setup.py b/setup.py index 865932c7..98daa6f1 100755 --- a/setup.py +++ b/setup.py @@ -13,7 +13,7 @@ # See the License for the specific language governing permissions and # limitations under the License. -NAME = 'pyscf-forge' +NAME = 'pyscf_forge' AUTHOR = 'Pyscf Developer' AUTHOR_EMAIL = None DESCRIPTION = 'Staging ground for PySCF core features' From 8edd25cf875583be9153001221feb6d3454b8d59 Mon Sep 17 00:00:00 2001 From: Qiming Sun Date: Fri, 13 Dec 2024 08:53:19 -0800 Subject: [PATCH 2/3] Compatibility issue when building aarch64 wheel --- .github/workflows/publish.yml | 1 - 1 file changed, 1 deletion(-) diff --git a/.github/workflows/publish.yml b/.github/workflows/publish.yml index d1133c43..3ded4b5e 100644 --- a/.github/workflows/publish.yml +++ b/.github/workflows/publish.yml @@ -64,7 +64,6 @@ jobs: mkdir -p /root/wheelhouse $src/linux-wheels && \ sed -i "/if basename(fn) not in needed_libs:/s/basename.*libs/1/" /opt/_internal/pipx/venvs/auditwheel/lib/python*/site-packages/auditwheel/wheel_abi.py && \ sed -i "/if src_path is None/a\ continue" /opt/_internal/pipx/venvs/auditwheel/lib/python*/site-packages/auditwheel/repair.py && \ - sed -i "s/numpy/h5py==3.10/" $src/pyproject.toml && \ export PATH=/opt/python/cp39-cp39/bin:$PATH && \ /opt/python/cp39-cp39/bin/pip wheel -v --no-deps --no-clean -w /root/wheelhouse $src && \ export whl=`ls /root/wheelhouse/pyscf_forge-*-linux_*.whl` && \ From 0d89553d723b4f96dbb8caa6158308c9303e1d55 Mon Sep 17 00:00:00 2001 From: Qiming Sun Date: Sun, 15 Dec 2024 17:42:04 -0800 Subject: [PATCH 3/3] Update pypi upload configurations --- .github/workflows/publish.yml | 34 ++++++++++++++++------------------ 1 file changed, 16 insertions(+), 18 deletions(-) diff --git a/.github/workflows/publish.yml b/.github/workflows/publish.yml index 3ded4b5e..92a51376 100644 --- a/.github/workflows/publish.yml +++ b/.github/workflows/publish.yml @@ -31,15 +31,11 @@ jobs: run: | ls ${{ github.workspace }}/linux-wheels - name: Publish to PyPI - # if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags') - uses: pypa/gh-action-pypi-publish@release/v1 - with: - user: __token__ - #password: ${{ secrets.PYPI_TEST_API_TOKEN }} - #repository_url: https://test.pypi.org/legacy/ - password: ${{ secrets.PYPI_API_TOKEN }} - packages-dir: ${{ github.workspace }}/linux-wheels - verbose: true + run: | + pip3 install twine + export TWINE_USERNAME=__token__ + export TWINE_PASSWORD="${{ secrets.PYPI_API_TOKEN }}" + twine upload --verbose linux-wheels/* release-pypi-aarch64: runs-on: ubuntu-latest @@ -72,15 +68,11 @@ jobs: run: | ls ${{ github.workspace }}/linux-wheels - name: Publish to PyPI - # if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags') - uses: pypa/gh-action-pypi-publish@release/v1 - with: - user: __token__ - #password: ${{ secrets.PYPI_TEST_API_TOKEN }} - #repository_url: https://test.pypi.org/legacy/ - password: ${{ secrets.PYPI_API_TOKEN }} - packages-dir: ${{ github.workspace }}/linux-wheels - verbose: true + run: | + pip3 install twine + export TWINE_USERNAME=__token__ + export TWINE_PASSWORD="${{ secrets.PYPI_API_TOKEN }}" + twine upload --verbose linux-wheels/* release-pypi-sdist: runs-on: ubuntu-latest @@ -102,6 +94,12 @@ jobs: password: ${{ secrets.PYPI_API_TOKEN }} packages-dir: ${{ github.workspace }}/dist verbose: true + - name: Publish to PyPI + run: | + pip3 install twine + export TWINE_USERNAME=__token__ + export TWINE_PASSWORD="${{ secrets.PYPI_API_TOKEN }}" + twine upload --verbose linux-wheels/* # release-pypi-macos-x86: # name: Build wheels for macos