From 1c122d19f858dea4e69e7fbb341520c20443cb2f Mon Sep 17 00:00:00 2001 From: Fanwang Meng Date: Thu, 31 Oct 2024 11:59:19 -0400 Subject: [PATCH 1/6] Use `qc-grids` as temporary solution --- .github/workflows/pypi_release.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/pypi_release.yaml b/.github/workflows/pypi_release.yaml index 591a588e..a06f4d2d 100644 --- a/.github/workflows/pypi_release.yaml +++ b/.github/workflows/pypi_release.yaml @@ -18,7 +18,7 @@ on: env: # The name of the package to be published to PyPI and TestPyPI. - PYPI_NAME: qc-grid + PYPI_NAME: qc-grids jobs: build: From 16c1aa281c944b922a8d9efad8d1bdfa00859aad Mon Sep 17 00:00:00 2001 From: Fanwang Meng Date: Thu, 31 Oct 2024 12:04:49 -0400 Subject: [PATCH 2/6] Fix classifiers in metadata --- README.md | 2 +- pyproject.toml | 7 +++---- 2 files changed, 4 insertions(+), 5 deletions(-) diff --git a/README.md b/README.md index dab7dad8..b7a1358c 100644 --- a/README.md +++ b/README.md @@ -1,6 +1,6 @@ # Grid -[![Python Version](https://img.shields.io/badge/python-3.7%2B-blue.svg)](https://docs.python.org/3/whatsnew/3.7.html) +[![Python Version](https://img.shields.io/badge/python-3.9%2B-blue.svg)](https://docs.python.org/3/whatsnew/3.9.html) [![GPLv3 License](https://img.shields.io/badge/License-GPL%20v3-yellow.svg)](https://opensource.org/licenses/) [![GitHub Actions CI Tox Status](https://github.com/theochem/grid/actions/workflows/pytest.yaml/badge.svg)](https://github.com/theochem/grid/actions/workflows/pytest.yaml) [![GitHub contributors](https://img.shields.io/github/contributors/theochem/grid.svg)](https://github.com/theochem/grid/graphs/contributors) diff --git a/pyproject.toml b/pyproject.toml index 57d824df..0b72229f 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -10,9 +10,9 @@ authors = [ description = "Grid performs numerical integration, interpolation and differentiation." readme = "README.md" license = {text = "GPL-3.0-or-later"} -requires-python = ">=3.7" +requires-python = ">=3.9" classifiers = [ - 'Development Status :: 0 - Released', + 'Development Status :: 5 - Production/Stable', 'Environment :: Console', 'License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)', 'Operating System :: POSIX :: Linux', @@ -21,11 +21,10 @@ classifiers = [ 'Intended Audience :: Science/Research', "Intended Audience :: Education", "Natural Language :: English", - 'Programming Language :: Python :: 3.7', - "Programming Language :: Python :: 3.8", "Programming Language :: Python :: 3.9", "Programming Language :: Python :: 3.10", "Programming Language :: Python :: 3.11", + "Programming Language :: Python :: 3.12", ] dependencies = [ "numpy>=1.16", From ce10eea0d6af2e9e4f3de2ab81fd16481e5c4cdb Mon Sep 17 00:00:00 2001 From: Fanwang Meng Date: Thu, 31 Oct 2024 12:08:11 -0400 Subject: [PATCH 3/6] Fix package name in pyproject.toml --- pyproject.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index 0b72229f..2d0db182 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -3,7 +3,7 @@ requires = ["setuptools>=65.0", "setuptools_scm[toml]>=7.1.0"] build-backend = "setuptools.build_meta" [project] -name = "qc-grid" +name = "qc-grids" authors = [ { name="QC-Devs Community", email="qcdevs@gmail.com" }, ] From 8aad69d4aa12eb966eb29700f06281083eb427dd Mon Sep 17 00:00:00 2001 From: Fanwang Meng Date: Thu, 31 Oct 2024 12:16:08 -0400 Subject: [PATCH 4/6] Update the operating system list and Python versions --- .github/workflows/pytest.yaml | 9 +++++---- 1 file changed, 5 insertions(+), 4 deletions(-) diff --git a/.github/workflows/pytest.yaml b/.github/workflows/pytest.yaml index 9a96c5a0..966d58bd 100644 --- a/.github/workflows/pytest.yaml +++ b/.github/workflows/pytest.yaml @@ -4,6 +4,7 @@ on: push: branches: - main + - master tags-ignore: - '**' pull_request: @@ -15,13 +16,13 @@ jobs: strategy: matrix: - os: ["ubuntu-latest", "windows-latest"] - py: ["3.7", "3.8", "3.9", "3.10", "3.11"] + os: ["ubuntu-latest", "windows-latest", "macos-latest"] + py: ["3.9", "3.10", "3.11", "3.12"] steps: - - uses: "actions/checkout@v3" + - uses: "actions/checkout@v4" - name: Setup python for test ${{ matrix.py }} - uses: actions/setup-python@v4 + uses: actions/setup-python@v5 with: python-version: ${{ matrix.py }} - name: Install dependencies for testing From 6286fa35a71d1291c74bbddb206c1b79c995a596 Mon Sep 17 00:00:00 2001 From: Fanwang Meng Date: Thu, 31 Oct 2024 12:18:36 -0400 Subject: [PATCH 5/6] Add Python 3.13 into pytest --- .github/workflows/pytest.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/pytest.yaml b/.github/workflows/pytest.yaml index 966d58bd..d4d2dab0 100644 --- a/.github/workflows/pytest.yaml +++ b/.github/workflows/pytest.yaml @@ -17,7 +17,7 @@ jobs: strategy: matrix: os: ["ubuntu-latest", "windows-latest", "macos-latest"] - py: ["3.9", "3.10", "3.11", "3.12"] + py: ["3.9", "3.10", "3.11", "3.12", "3.13"] steps: - uses: "actions/checkout@v4" From 985a967cbf4e2e6812654ddc66bd663b53f47383 Mon Sep 17 00:00:00 2001 From: Fanwang Meng Date: Thu, 31 Oct 2024 12:20:08 -0400 Subject: [PATCH 6/6] Drop MacOS --- .github/workflows/pytest.yaml | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/.github/workflows/pytest.yaml b/.github/workflows/pytest.yaml index d4d2dab0..9eaa3d72 100644 --- a/.github/workflows/pytest.yaml +++ b/.github/workflows/pytest.yaml @@ -16,7 +16,8 @@ jobs: strategy: matrix: - os: ["ubuntu-latest", "windows-latest", "macos-latest"] + # os: ["ubuntu-latest", "windows-latest", "macos-latest"] + os: ["ubuntu-latest", "windows-latest"] py: ["3.9", "3.10", "3.11", "3.12", "3.13"] steps: