[build] Add Dockerfile for TNSP project.

Add Dockerfile for TNSP and the github action script to build it and push it to
DockerHub.

Author: hzhangxyz

.github/workflows/docker.yml

@@ -0,0 +1,35 @@
+name: docker
+
+on:
+  push:
+    branches:
+      - main
+
+jobs:
+  docker:
+    runs-on: ubuntu-latest
+    steps:
+      - name: checkout
+        uses: actions/checkout@v3
+        with:
+          fetch-depth: 0
+      - name: recovery tag information
+        run: git fetch origin --depth=1 +refs/tags/*:refs/tags/*
+      - name: set up qemu
+        uses: docker/setup-qemu-action@v3
+      - name: set up docker buildx
+        uses: docker/setup-buildx-action@v3
+      - name: login to docker hub
+        uses: docker/login-action@v3
+        with:
+          username: ${{ secrets.DOCKERHUB_USERNAME }}
+          password: ${{ secrets.DOCKERHUB_TOKEN }}
+      - name: build and push
+        uses: docker/build-push-action@v6
+        with:
+          context: .
+          platforms: linux/amd64,linux/arm64
+          push: true
+          tags: |
+            ${{ secrets.DOCKERHUB_USERNAME }}/tnsp:latest
+            ${{ secrets.DOCKERHUB_USERNAME }}/tnsp:${{ github.sha }}

.gitignore

@@ -20,6 +20,7 @@
 !/LICENSE.rst
 !/README.org
 !/README_zh.org
+!/Dockerfile
 
 _minted-*
 build

Dockerfile

@@ -0,0 +1,13 @@
+FROM python:3.12
+RUN apt update
+RUN apt install --yes libopenblas-dev libopenmpi-dev
+RUN pip install build
+COPY . TNSP
+RUN python -m build TNSP/PyTAT -o dist -v
+RUN python -m build TNSP/lazy_graph -o dist -v
+RUN python -m build TNSP/PyScalapack -o dist -v
+RUN python -m build TNSP/tetragono -o dist -v
+RUN python -m build TNSP/tetraku -o dist -v
+RUN python -m build TNSP/tnsp_bridge -o dist -v
+RUN pip install dist/*.whl
+RUN pip install torch openfermion