Merge pull request #1 from TravisWheelerLab/dockerize

Add Docker configuration

.github/workflows/container.yaml

@@ -0,0 +1,47 @@
+# This workflow uses actions that are not certified by GitHub.
+# They are provided by a third-party and are governed by
+# separate terms of service, privacy policy, and support
+# documentation.
+
+name: Create and publish a Docker image
+
+on:
+  workflow_dispatch:
+  release:
+    types: ['published']
+
+env:
+  REGISTRY: ghcr.io
+  IMAGE_NAME: ${{ github.repository }}
+
+jobs:
+  build-and-push-image:
+    runs-on: ubuntu-latest
+    permissions:
+      contents: read
+      packages: write
+
+    steps:
+      - name: Checkout repository
+        uses: actions/checkout@v2
+
+      - name: Log in to the Container registry
+        uses: docker/login-action@f054a8b539a109f9f41c372932f1ae047eff08c9
+        with:
+          registry: ${{ env.REGISTRY }}
+          username: ${{ github.actor }}
+          password: ${{ secrets.GITHUB_TOKEN }}
+
+      - name: Extract metadata (tags, labels) for Docker
+        id: meta
+        uses: docker/metadata-action@98669ae865ea3cffbcbaa878cf57c20bbf1c6c38
+        with:
+          images: ${{ env.REGISTRY }}/${{ env.IMAGE_NAME }}
+
+      - name: Build and push Docker image
+        uses: docker/build-push-action@ad44023a93711e3deb337508980b4b5e9bcdc5dc
+        with:
+          context: .
+          push: true
+          tags: ${{ steps.meta.outputs.tags }}
+          labels: ${{ steps.meta.outputs.labels }}

Dockerfile

@@ -0,0 +1,23 @@
+FROM python:3.9-slim-bullseye AS build
+
+WORKDIR /opt
+COPY Pipfile ./
+COPY Pipfile.lock ./
+RUN pip install pipenv \
+    && pipenv sync \
+    && pipenv run pip freeze > requirements.txt
+
+FROM python:3.9-slim-bullseye
+
+RUN mkdir /opt/shopty
+WORKDIR /opt/shopty
+
+COPY --from=build /opt/requirements.txt ./
+RUN pip install -r requirements.txt
+COPY shopty/ shopty/
+
+VOLUME /data
+WORKDIR /data
+
+ENV PYTHONPATH=/opt/shopty
+ENTRYPOINT ["python3", "-m", "shopty"]

Pipfile

@@ -0,0 +1,14 @@
+[[source]]
+url = "https://pypi.org/simple"
+verify_ssl = true
+name = "pypi"
+
+[packages]
+pytorch-lightning = ">=1.5.0"
+pyyaml = ">=6.0.0"
+numpy = ">=1.0.0"
+
+[dev-packages]
+
+[requires]
+python_version = "3.9"

shopty/__init__.py

@@ -1,7 +1,7 @@
 """
 shopty is a tool for tuning hyperparameters on your computer or slurm-managed clusters.
 """
-__version__ = "0.0.3"
+from ._version import __version__
 
 from .experiments import *
 from .supervisors import *

shopty/__main__.py

@@ -0,0 +1,4 @@
+from .cli import main
+
+if __name__ == "__main__":
+    main()

shopty/_version.py

@@ -0,0 +1,4 @@
+__version__ = "0.0.3"
+
+if __name__ == "__main__":
+    print(__version__)

tool/build-image.sh

@@ -0,0 +1,5 @@
+#!/usr/bin/env sh
+
+set -e
+
+docker build -t shopty .

tool/run-image.sh

@@ -0,0 +1,5 @@
+#!/usr/bin/env sh
+
+set -e
+
+docker run -v $PWD:/data -u "$(id -u):$(id -g)" shopty "$@"