Fix CI/CD: migrate to GitHub Actions, fix badges, auto-publish to PyPI

* Replace Travis CI with GitHub Actions, fix outdated badges

- Migrate CI from Travis CI (dead) to GitHub Actions
- Test on Python 3.8, 3.9, 3.10, 3.11
- Remove dead landscape.io badge
- Update Python badge: 2.7/3.5 → 3.8+
- Update PyPI badge: v0.8.12 → v0.9.0
- Update codecov badge format

Co-Authored-By: deepseek-v4-pro

* Add PyPI auto-publish workflow on version tag push

When a tag matching 'v*' is pushed, the workflow builds and publishes
to PyPI automatically.

Co-Authored-By: deepseek-v4-pro

---------

Co-authored-by: zhengjiang shao <zhengjiangshao@zhengjiangs-MacBook-Pro.local>

Author: PytLab

.github/workflows/ci.yml

@@ -0,0 +1,28 @@
+name: CI
+
+on:
+  push:
+    branches: [master]
+  pull_request:
+    branches: [master]
+
+jobs:
+  test:
+    runs-on: ubuntu-latest
+    strategy:
+      matrix:
+        python-version: ['3.8', '3.9', '3.10', '3.11']
+    steps:
+      - uses: actions/checkout@v4
+      - name: Set up Python ${{ matrix.python-version }}
+        uses: actions/setup-python@v5
+        with:
+          python-version: ${{ matrix.python-version }}
+      - name: Install dependencies
+        run: |
+          pip install numpy scipy matplotlib pyvista codecov
+          pip install -e .
+      - name: Run tests
+        run: coverage run -m vaspy.tests.test_all
+      - name: Upload coverage
+        run: codecov

.github/workflows/publish.yml

@@ -0,0 +1,25 @@
+name: Publish to PyPI
+
+on:
+  push:
+    tags:
+      - 'v*'
+
+jobs:
+  publish:
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v4
+      - name: Set up Python
+        uses: actions/setup-python@v5
+        with:
+          python-version: '3.11'
+      - name: Install build tools
+        run: pip install build twine
+      - name: Build package
+        run: python -m build
+      - name: Publish to PyPI
+        run: twine upload dist/*
+        env:
+          TWINE_USERNAME: __token__
+          TWINE_PASSWORD: ${{ secrets.PYPI_TOKEN }}

.travis.yml

@@ -2,24 +2,21 @@
 VASPy
 =====
 
-.. image:: https://travis-ci.org/PytLab/VASPy.svg?branch=master
-    :target: https://travis-ci.org/PytLab/VASPy
+.. image:: https://github.com/PytLab/VASPy/actions/workflows/ci.yml/badge.svg
+    :target: https://github.com/PytLab/VASPy/actions
     :alt: Build Status
 
-.. image:: https://landscape.io/github/PytLab/VASPy/master/landscape.svg?style=flat
-    :target: https://landscape.io/github/PytLab/VASPy/master
-    :alt: Code Health
-
 .. image:: https://img.shields.io/codecov/c/github/PytLab/VASPy/master.svg
     :target: https://codecov.io/gh/PytLab/VASPy
+    :alt: Coverage
 
-.. image:: https://img.shields.io/badge/python-3.5, 2.7-green.svg
-    :target: https://www.python.org/downloads/release/python-351/
-    :alt: platform
+.. image:: https://img.shields.io/badge/python-3.8+-green.svg
+    :target: https://www.python.org/downloads/
+    :alt: Python
 
-.. image:: https://img.shields.io/badge/pypi-v0.8.12-blue.svg
-    :target: https://pypi.python.org/pypi/vaspy/
-    :alt: versions
+.. image:: https://img.shields.io/badge/pypi-v0.9.0-blue.svg
+    :target: https://pypi.org/project/vaspy/
+    :alt: PyPI
 
 Introduction
 ------------

README.rst

@@ -15,24 +15,21 @@
 VASPy
 =====
 
-.. image:: https://travis-ci.org/PytLab/VASPy.svg?branch=master
-    :target: https://travis-ci.org/PytLab/VASPy
+.. image:: https://github.com/PytLab/VASPy/actions/workflows/ci.yml/badge.svg
+    :target: https://github.com/PytLab/VASPy/actions
     :alt: Build Status
 
-.. image:: https://landscape.io/github/PytLab/VASPy/master/landscape.svg?style=flat
-    :target: https://landscape.io/github/PytLab/VASPy/master
-    :alt: Code Health
-
-.. image:: https://codecov.io/gh/PytLab/VASPy/branch/master/graph/badge.svg
+.. image:: https://img.shields.io/codecov/c/github/PytLab/VASPy/master.svg
     :target: https://codecov.io/gh/PytLab/VASPy
+    :alt: Coverage
 
-.. image:: https://img.shields.io/badge/python-3.5, 2.7-green.svg
-    :target: https://www.python.org/downloads/release/python-351/
-    :alt: platform
+.. image:: https://img.shields.io/badge/python-3.8+-green.svg
+    :target: https://www.python.org/downloads/
+    :alt: Python
 
-.. image:: https://img.shields.io/badge/pypi-v0.8.12-blue.svg
-    :target: https://pypi.python.org/pypi/vaspy/
-    :alt: versions
+.. image:: https://img.shields.io/badge/pypi-v0.9.0-blue.svg
+    :target: https://pypi.org/project/vaspy/
+    :alt: PyPI
 
 
 Introduction