Update max python version (#38)

* update `ci.yml` to run in multiple python versions

* update biopython minimal version

* update base python image

* update python version classifiers

* update `pypi-publish.yml`

* bump version

* typo

.github/workflows/ci.yml

@@ -4,14 +4,18 @@ on: push
 
 jobs:
   test:
-
     runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: ["3.9", "3.10", "3.11", "3.12"]
+      fail-fast: false
+
     steps:
-      - uses: actions/checkout@v3
+      - uses: actions/checkout@v4
 
-      - uses: actions/setup-python@v4
+      - uses: actions/setup-python@v5
         with:
-          python-version: "3.10"
+          python-version: ${{ matrix.python-version }}
 
       - uses: snok/install-poetry@v1
         with:
@@ -21,7 +25,13 @@ jobs:
 
       - run: poetry install --no-interaction --no-root
 
-      - run: poetry run pytest --cov --cov-report xml:coverage.xml --cov-append -vv --hypothesis-show-statistics
+      - name: run tests
+        run: >-
+          poetry run pytest --cov
+          --cov-report xml:coverage.xml
+          --cov-append
+          -vv
+          --hypothesis-show-statistics
 
       - name: Run codacy-coverage-reporter
         uses: codacy/codacy-coverage-reporter-action@v1

.github/workflows/pypi-publish.yml

@@ -11,9 +11,9 @@ jobs:
     steps:
       - uses: actions/checkout@v4
 
-      - uses: actions/setup-python@v4
+      - uses: actions/setup-python@v5
         with:
-          python-version: "3.11"
+          python-version: "3.12"
 
       - uses: snok/install-poetry@v1
         with:

Dockerfile

@@ -1,5 +1,5 @@
 #==============================================================================================
-FROM python:3.10
+FROM python:3.12
 WORKDIR /opt/software
 COPY . .
 RUN pip install .

pyproject.toml

@@ -1,7 +1,7 @@
 [tool.poetry]
 name = "prodigy-prot"
 license = "Apache-2.0"
-version = "2.2.2"
+version = "2.2.3"
 description = "PROtein binDIng enerGY prediction"
 authors = [
   "Computational Structural Biology Group at Utrecht University <[email protected]>",
@@ -10,16 +10,17 @@ readme = "README.md"
 classifiers = [
   "Development Status :: 5 - Production/Stable",
   "License :: OSI Approved :: Apache Software License",
-  "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 :: Chemistry",
   "Topic :: Scientific/Engineering :: Bio-Informatics",
 ]
 
 [tool.poetry.dependencies]
 python = "^3.9"
-biopython = "1.80"
+biopython = "^1.80"
 freesasa = "2.2.1"
 numpy = "^1.22.0"