From d069136373d507dcea2c3108d1661830c1058c61 Mon Sep 17 00:00:00 2001 From: Zhiyi Wu Date: Sat, 30 Dec 2023 21:48:12 +0000 Subject: [PATCH 1/3] update --- .github/workflows/ci.yaml | 6 +++--- CHANGES | 5 ++++- setup.py | 4 ++-- 3 files changed, 9 insertions(+), 6 deletions(-) diff --git a/.github/workflows/ci.yaml b/.github/workflows/ci.yaml index 4503f1b9..7a3605c3 100644 --- a/.github/workflows/ci.yaml +++ b/.github/workflows/ci.yaml @@ -29,18 +29,18 @@ jobs: fail-fast: false matrix: os: ["ubuntu-latest", "macOS-latest", "windows-latest"] - python-version: ["3.8", "3.9", "3.10", "3.11"] + python-version: ["3.9", "3.10", "3.11", "3.12"] # Only test lowest and highest version on the expensive/slow # macOS and windows runners (UPDATE when supported versions change): exclude: - os: macOS-latest python-version: 3.10 - os: macOS-latest - python-version: 3.9 + python-version: 3.11 - os: windows-latest python-version: 3.10 - os: windows-latest - python-version: 3.9 + python-version: 3.11 steps: - uses: actions/checkout@v3 diff --git a/CHANGES b/CHANGES index 7a8ed754..7068a05c 100644 --- a/CHANGES +++ b/CHANGES @@ -17,7 +17,10 @@ The rules for this file: */*/2023 hl2500 * 2.2.0 - + +Changes + - Deprecate python 3.8 add support for python 3.12 (issue #341, PR #304). + Enhancements - Add a TI estimator using gaussian quadrature to calculate the free energy. (issue #302, PR #304) diff --git a/setup.py b/setup.py index 2dbfed19..882a3866 100755 --- a/setup.py +++ b/setup.py @@ -29,10 +29,10 @@ "Operating System :: Microsoft :: Windows ", "Programming Language :: Python", "Programming Language :: Python :: 3", - "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", "Topic :: Scientific/Engineering", "Topic :: Scientific/Engineering :: Bio-Informatics", "Topic :: Scientific/Engineering :: Chemistry", @@ -43,7 +43,7 @@ license="BSD", long_description=open("README.rst").read(), long_description_content_type="text/x-rst", - python_requires=">=3.8", + python_requires=">=3.9", tests_require=["pytest", "alchemtest"], install_requires=[ "numpy", From fc8d66fb18ab930529038313b376b62263c1c613 Mon Sep 17 00:00:00 2001 From: Zhiyi Wu Date: Sat, 30 Dec 2023 21:51:11 +0000 Subject: [PATCH 2/3] update --- .github/workflows/ci.yaml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/ci.yaml b/.github/workflows/ci.yaml index 7a3605c3..0469f78f 100644 --- a/.github/workflows/ci.yaml +++ b/.github/workflows/ci.yaml @@ -46,7 +46,7 @@ jobs: - uses: actions/checkout@v3 # More info on options: https://github.com/conda-incubator/setup-miniconda - - uses: mamba-org/provision-with-micromamba@main + - uses: mamba-org/setup-micromamba@main with: environment-file: devtools/conda-envs/test_env.yaml environment-name: test From 9b95bfaf67a4e35c650857916fb430e2fc1a3506 Mon Sep 17 00:00:00 2001 From: Oliver Beckstein Date: Tue, 2 Jan 2024 23:48:36 -0700 Subject: [PATCH 3/3] Update CHANGES --- CHANGES | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/CHANGES b/CHANGES index 7068a05c..f26357b3 100644 --- a/CHANGES +++ b/CHANGES @@ -19,7 +19,7 @@ The rules for this file: * 2.2.0 Changes - - Deprecate python 3.8 add support for python 3.12 (issue #341, PR #304). + - add support for Python 3.12, remove Python 3.8 support (issue #341, PR #304). Enhancements - Add a TI estimator using gaussian quadrature to calculate the free energy.