fix ci, bump up python to 3.10+ (#59)

* fix ci, bump up python to 3.10+
* remove osx-arm64 runner
*  CI now no longer uses auto python range generation
    Python 3.9 has been dropped
    MDAnalysis 2.0.0 has been dropped
    meta.yaml and build.sh files seemed unused and redundant so they have been removed

.github/workflows/gh-ci.yaml

@@ -23,31 +23,19 @@ defaults:
     shell: bash  -l {0} 
 
 jobs:
-  environment-config:
-    runs-on: ubuntu-latest
-    outputs:
-      stable-python-version: ${{ steps.get-python-version.outputs.python-version }}
-    steps:
-      - uses: actions/checkout@v4
-
-      - id: get-python-version
-        uses: MDAnalysis/get-latest-python-version@main
-        with:
-          last-n-minor-release: 1
-
   main-tests:
     if: "github.repository == 'MDAnalysis/mdahole2'"
     runs-on: ${{ matrix.os }}
     strategy:
         fail-fast: false
         matrix:
-          # os: [macOS-latest, ubuntu-latest, windows-latest]
-          os: [ubuntu-latest, macOS-latest]
-          python-version: ["3.9", "3.10", "3.11", "3.12"]
+          # macos-latest (arm64) and windows are not current supported by hole2
+          os: [ubuntu-latest, macos-13]
+          python-version: ["3.10", "3.11", "3.12"]
           mdanalysis-version: ["latest", "develop"]
 
     steps:
-    - uses: actions/checkout@v3
+    - uses: actions/checkout@v4
 
     - name: Build information
       run: |
@@ -58,12 +46,11 @@ jobs:
 
     # More info on options: https://github.com/conda-incubator/setup-miniconda
     - name: Install conda dependencies
-      uses: conda-incubator/setup-miniconda@v2
+      uses: conda-incubator/setup-miniconda@v3
       with:
         python-version: ${{ matrix.python-version }}
         environment-file: devtools/conda-envs/test_env.yaml
         add-pip-as-python-dependency: true
-        architecture: x64
 
         miniforge-variant: Mambaforge
         use-mamba: true
@@ -101,10 +88,10 @@ jobs:
       env:
         DUECREDIT_ENABLE: 'yes'
       run: |
-        pytest -n 2 -v --cov=mdahole2 --cov-report=xml --color=yes mdahole2/tests/
+        pytest -n auto -v --cov=mdahole2 --cov-report=xml --color=yes mdahole2/tests/
 
     - name: codecov
-      uses: codecov/codecov-action@v3
+      uses: codecov/codecov-action@v4
       with:
         token: ${{ secrets.CODECOV_TOKEN }}
         file: coverage.xml
@@ -114,16 +101,15 @@ jobs:
 
   pylint_check:
     if: "github.repository == 'MDAnalysis/mdahole2'"
-    needs: environment-config
     runs-on: ubuntu-latest
 
     steps:
     - uses: actions/checkout@v4
 
     - name: Set up Python
-      uses: actions/setup-python@v4
+      uses: actions/setup-python@v5
       with:
-        python-version: ${{ needs.environment-config.outputs.stable-python-version }}
+        python-version: "3.11"
 
     - name: Install Pylint
       run: |
@@ -140,16 +126,15 @@ jobs:
 
   pypi_check:
     if: "github.repository == 'MDAnalysis/mdahole2'"
-    needs: environment-config
     runs-on: ubuntu-latest
 
     steps:
     - uses: actions/checkout@v4
 
-    - name: Set up Python ${{ needs.environment-config.outputs.stable-python-version }}
-      uses: actions/setup-python@v4
+    - name: Set up Python
+      uses: actions/setup-python@v5
       with:
-        python-version: ${{ needs.environment-config.outputs.stable-python-version }}
+        python-version: "3.11"
 
     - name: Install dependencies
       run: |

CHANGELOG.md

@@ -16,6 +16,14 @@ The rules for this file:
   * accompany each entry with github issue/PR number (Issue #xyz)
 -->
 
+## Unreleased
+
+### Authors
+- IAlibay
+
+## Changed
+- Python 3.9 has now been dropped as per SPEC0
+
 ## [0.4.0] -- 2024-01-30
 
 ### Authors

pyproject.toml

@@ -22,17 +22,16 @@ classifiers = [
     "License :: OSI Approved :: GNU General Public License v2 or later (GPLv2+)",
     "Programming Language :: C",
     "Programming Language :: Python",
-    "Programming Language :: Python :: 3.9",
     "Programming Language :: Python :: 3.10",
     "Programming Language :: Python :: 3.11",
     "Programming Language :: Python :: 3.12",
     "Topic :: Scientific/Engineering",
     "Topic :: Software Development :: Libraries :: Python Modules",
 ]
 readme = "README.md"
-requires-python = ">=3.9"
+requires-python = ">=3.10"
 dependencies = [
-    "MDAnalysis>=2.0.0",
+    "MDAnalysis>=2.1.0",
 ]
 keywords = [
     "molecular simulations",