Upgrading versions and adding Continuous Integration and Delivery

.dockerignore

@@ -0,0 +1,8 @@
+.github
+.ruff_cache/
+.venv/
+data/
+dist/
+docs/
+example/
+oncodrivefml.egg-info/

.github/workflows/build.yaml

@@ -0,0 +1,201 @@
+name: Build and Publish
+
+on:
+  push:
+    tags:
+      - "**"
+    branches:
+      - "**"
+
+permissions:
+  contents: read
+
+env:
+  TERM: xterm
+
+jobs:
+  packages-build:
+    name: Build packages
+    runs-on: ubuntu-latest
+    env:
+      RUFF_FORMAT: github
+
+    steps:
+      - uses: actions/checkout@v4
+
+      - name: Set up Python 3.8
+        uses: actions/setup-python@v3
+        with:
+          python-version: "3.8"
+
+      - name: Prepare virtual environment
+        run: make create-env
+
+      - name: Check format
+        run: |
+          make check-format || true
+          BOLDRED=$(tput bold && tput setaf 1)
+          RESET=$(tput sgr0)
+          echo "${BOLDRED}==> We won't fail on formatting errors for the time being, but we will in the future.${RESET}"
+      
+      - name: Check lint
+        run: |
+          make check-lint || true
+          BOLDRED=$(tput bold && tput setaf 1)
+          RESET=$(tput sgr0)
+          echo "${BOLDRED}==> We won't fail on lint errors for the time being, but we will in the future.${RESET}"
+
+      - name: Build packages
+        run: make build-dist
+
+      - name: Upload packages
+        uses: actions/upload-artifact@v4
+        with:
+          name: python-packages
+          path: dist
+
+  docker-build:
+    name: Build Docker image
+    runs-on: ubuntu-latest
+
+    steps:
+      - uses: actions/checkout@v4
+
+      - name: Set up Python 3.8
+        uses: actions/setup-python@v3
+        with:
+          python-version: "3.8"
+
+      - name: Prepare virtual environment
+        run: make create-env
+
+      - name: Check Dockerfile
+        run: make check-docker
+
+      - name: Build Docker image
+        run: make build-image
+
+      # TODO: Enable this when we figure out how to run it without having to download several Gigabytes of data.
+      # - name: Test Docker image
+      #   run: make run-example
+
+  docs-build:
+    name: Build documentation
+    runs-on: ubuntu-latest
+
+    steps:
+      - uses: actions/checkout@v4
+
+      - name: Set up Python 3.8
+        uses: actions/setup-python@v3
+        with:
+          python-version: "3.8"
+
+      - name: Check version matching the tag
+        run: make docs
+
+      - name: Upload documentation
+        uses: actions/upload-artifact@v4
+        with:
+          name: documentation
+          path: docs/build
+
+  check-version:
+    name: Check version
+    runs-on: ubuntu-latest
+    if: startsWith(github.ref, 'refs/tags/')
+
+    steps:
+      - uses: actions/checkout@v4
+
+      - name: Set up Python 3.8
+        uses: actions/setup-python@v3
+        with:
+          python-version: "3.8"
+
+      - name: Prepare virtual environment
+        run: make create-env
+
+      - name: Check version matching the tag
+        run: make check-version
+
+  docs-publish:
+    name: Publish documentation
+    runs-on: ubuntu-latest
+    if: startsWith(github.ref, 'refs/tags/')
+    env:
+      RTD_USERNAME: ${{ secrets.RTD_USERNAME }}
+
+    steps:
+      - uses: actions/checkout@v4
+
+      - name: Set up Python 3.8
+        uses: actions/setup-python@v3
+        with:
+          python-version: "3.8"
+
+      - name: Prepare virtual environment
+        run: make create-env
+
+      - name: Download documentation
+        uses: actions/download-artifact@v4
+        with:
+          name: documentation
+
+      # TODO: Add a step to publish the docs to ReadTheDocs
+
+  packages-publish:
+    name: Publish packages
+    runs-on: ubuntu-latest
+    if: startsWith(github.ref, 'refs/tags/')
+    env:
+      PYPI_USERNAME: ${{ secrets.PYPI_USERNAME }}
+    needs:
+      - check-version
+      - packages-build
+      - docker-build
+
+    steps:
+      - uses: actions/checkout@v4
+
+      - name: Set up Python 3.8
+        uses: actions/setup-python@v3
+        with:
+          python-version: "3.8"
+
+      - name: Prepare virtual environment
+        run: make create-env
+
+      - name: Download packages
+        uses: actions/download-artifact@v4
+        with:
+          name: python-packages
+
+      - name: Publish to PyPI
+        if: ${{ env.PYPI_USERNAME != '' }}
+        env:
+          PYPI_PASSWORD: ${{ secrets.PYPI_PASSWORD }}
+        run: make publish-dist
+
+  docker-push:
+    name: Push Docker image
+    if: startsWith(github.ref, 'refs/tags/')
+    runs-on: ubuntu-latest
+    env:
+      DOCKER_USERNAME: ${{ secrets.DOCKER_USERNAME }}
+    needs:
+      - check-version
+      - packages-build
+      - docker-build
+
+    steps:
+      - if: ${{ env.DOCKER_USERNAME != '' }}
+        uses: actions/checkout@v3
+
+      - name: Login to DockerHub
+        if: ${{ env.DOCKER_USERNAME != '' }}
+        run: echo ${{ secrets.DOCKER_PASSWORD }} | docker login -u ${{ secrets.DOCKER_USERNAME }} --password-stdin
+
+      - name: Push Docker image
+        if: ${{ env.DOCKER_USERNAME != '' }}
+        run: make push-image

.gitignore

@@ -36,4 +36,8 @@ example/cdsOriginal
 docs/build
 
 # External users tests
-external_checks
+external_checks
+
+.ruff_cache/
+.venv
+data/

.hadolint.yaml

@@ -0,0 +1,2 @@
+ignored:
+  - DL3003

.python-version

@@ -0,0 +1 @@
+3.8

Dockerfile

@@ -0,0 +1,20 @@
+FROM python:3.8-slim
+
+# hadolint ignore=DL3013
+RUN pip install --no-cache-dir --upgrade pip
+
+ENV DEBIAN_FRONTEND=noninteractive
+
+RUN apt-get update && \
+    apt-get install -y --no-install-recommends --no-install-suggests \
+        build-essential=12.9 \
+        zlib1g-dev=1:1.2.13.dfsg-1 && \
+    rm -rf /var/lib/apt/lists/*
+
+# hadolint ignore=DL3042
+RUN --mount=type=cache,target=/root/.cache/pip \
+    --mount=type=bind,target=/project,rw \
+    cd /project && \
+    pip install .
+
+ENTRYPOINT [ "/usr/local/bin/oncodrivefml" ]

Makefile

@@ -0,0 +1,148 @@
+ROOT_DIR := $(shell echo $(dir $(lastword $(MAKEFILE_LIST))) | sed 's|/*$$||')
+
+DOCS_DIR := $(ROOT_DIR)/docs
+VENV_DIR := $(ROOT_DIR)/.venv
+
+VERSION ?= $(shell $(VENV_DIR)/bin/python -c 'from oncodrivefml import __version__; print(f"{__version__}")')
+
+GIT_TAG_OR_SHA = $(shell git describe --tags --exact-match 2>/dev/null || git rev-parse --short HEAD)
+
+IMAGE_TAG ?= $(VERSION)
+IMAGE := bbglab/oncodrivefml:$(IMAGE_TAG)
+
+BOLDRED := $(shell tput bold && tput setaf 1)
+BOLDGREEN := $(shell tput bold && tput setaf 2)
+BOLDYELLOW := $(shell tput bold && tput setaf 3)
+WHITE := $(shell tput sgr0 && tput setaf 7)
+RESET := $(shell tput sgr0)
+
+
+.PHONY: help
+help:
+	@echo "$(BOLDYELLOW)Available targets:$(RESET)"
+	@echo
+	@echo "$(BOLDGREEN)  checks       $(WHITE)-> Run all the checks (format and lint)"
+	@echo "$(BOLDGREEN)  check-format $(WHITE)-> Check for formatting errors"
+	@echo "$(BOLDGREEN)  check-lint   $(WHITE)-> Check for lint errors"
+	@echo "$(BOLDGREEN)  check-docker $(WHITE)-> Check the Dockerfile"
+	@echo "$(BOLDGREEN)  format       $(WHITE)-> Format source code"
+	@echo "$(BOLDGREEN)  build-dist   $(WHITE)-> Build source and wheel distribution files"
+	@echo "$(BOLDGREEN)  install      $(WHITE)-> Install the packages in editable mode"
+	@echo "$(BOLDGREEN)  create-env   $(WHITE)-> Create a virtual environment"
+	@echo "$(BOLDGREEN)  remove-env   $(WHITE)-> Remove the virtual environment"
+	@echo "$(BOLDGREEN)  build-image  $(WHITE)-> Build the Docker image"
+	@echo "$(BOLDGREEN)  push-image   $(WHITE)-> Push the Docker image into DockerHub"
+	@echo "$(BOLDGREEN)  docs         $(WHITE)-> Generate the documentation"
+	@echo "$(BOLDGREEN)  run-example  $(WHITE)-> Run the included example using the Docker image"
+	@echo "$(BOLDGREEN)  clean        $(WHITE)-> Clean the working directory (build files, virtual environments, caches)"
+	@echo "$(RESET)"
+
+$(VENV_DIR):
+	@echo "$(BOLDYELLOW)Preparing virtual environment ...$(RESET)"
+	python -m venv $(VENV_DIR)
+	$(VENV_DIR)/bin/pip install -U pip ruff setuptools wheel build twine
+	@echo "$(BOLDGREEN)==> Success!$(RESET)"
+
+.PHONY: checks
+checks: check-format check-lint check-docker
+
+.PHONY: check-format
+check-format: $(VENV_DIR)
+	@echo "$(BOLDGREEN)Checking code format ...$(RESET)"
+	$(VENV_DIR)/bin/ruff format --check
+	@echo "$(BOLDGREEN)==> Success!$(RESET)"
+
+.PHONY: check-lint
+check-lint: $(VENV_DIR)
+	@echo "$(BOLDGREEN)Checking lint ...$(RESET)"
+	$(VENV_DIR)/bin/ruff check
+	@echo "$(BOLDGREEN)==> Success!$(RESET)"
+
+.PHONY: check-docker
+check-docker:
+	@echo "$(BOLDGREEN)Checking Dockerfile ...$(RESET)"
+	docker run --rm -i \
+		-v $$(pwd):/project \
+		hadolint/hadolint hadolint \
+		--config /project/.hadolint.yaml \
+		/project/Dockerfile
+	@echo "$(BOLDGREEN)==> Success!$(RESET)"
+
+.PHONY: check-version
+check-version: $(VENV_DIR)
+	@echo "$(BOLDGREEN)Checking that the version matches the tag ...$(RESET)"
+	@if [ "$(VERSION)" != "$(GIT_TAG_OR_SHA)" ]; then \
+	    echo "$(BOLDRED)==> Version $(BOLDYELLOW)$(VERSION)$(BOLDRED) doesn't match the git tag $(BOLDYELLOW)$(GIT_TAG_OR_SHA)$(BOLDRED) !!!$(RESET)"; \
+		echo "$(BOLDRED)==> Please update the $(BOLDYELLOW)__version__$(BOLDRED) in $(BOLDYELLOW)oncodrivefml/__init__.py$(BOLDRED) and re-create the tag.$(RESET)"; \
+	    exit 1; \
+	fi
+	@echo "$(BOLDGREEN)==> Success!$(RESET)"
+
+.PHONY: format
+format: $(VENV_DIR)
+	@echo "$(BOLDGREEN)Formatting code ...$(RESET)"
+	$(VENV_DIR)/bin/ruff format
+
+.PHONY: build-dist
+build-dist: $(VENV_DIR)
+	@echo "$(BOLDGREEN)Building packages ...$(RESET)"
+	$(VENV_DIR)/bin/python -m build
+
+.PHONY: publish-dist
+publish-dist: $(VENV_DIR)
+	@echo "$(BOLDGREEN)Publishing OncodriveFML $(BOLDYELLOW)$(VERSION)$(BOLDGREEN) to PyPI ...$(RESET)"
+	@[[ -z "$(PYPI_USERNAME)" || -z "$(PYPI_PASSWORD)" ]] && (echo "$(BOLDRED)==> Missing PyPI credentials !!!$(RESET)"; exit 1)
+	$(VENV_DIR)/bin/twine upload \
+		--username $(PYPI_USERNAME) \
+		--password $(PYPI_PASSWORD) \
+		dist/*
+
+.PHONY: install
+install: $(VENV_DIR)
+	pip install -e .
+
+.PHONY: create-env
+create-env: $(VENV_DIR)
+
+.PHONY: remove-env
+remove-env:
+	@echo "$(BOLDGREEN)Removing virtual environment ...$(RESET)"
+	rm -rf $(VENV_DIR)
+
+.PHONY: build-image
+build-image:
+	@echo "$(BOLDGREEN)Building Docker image $(BOLDYELLOW)$(IMAGE)$(BOLDGREEN) ...$(RESET)"
+	docker build --progress=plain -t $(IMAGE) .
+	@echo "$(BOLDGREEN)==> Success!$(RESET)"
+
+.PHONY: build-image
+push-image:
+	@echo "$(BOLDGREEN)Pushing the Docker image into the DockerHub ...$(RESET)"
+	docker push $(IMAGE)
+	@echo "$(BOLDGREEN)==> Success!$(RESET)"
+
+.PHONY: docs
+docs: $(VENV_DIR)
+	@if ! which $(VENV_DIR)/bin/sphinx-build > /dev/null; then \
+		$(VENV_DIR)/bin/pip install -r optional-requirements.txt; \
+	fi
+	(source $(VENV_DIR)/bin/activate; make -C $(DOCS_DIR) html)
+
+.PHONY: run-example
+run-example:
+	@echo "$(BOLDGREEN)Running example ...$(RESET)"
+	docker run --rm -i \
+		--workdir /example \
+		-e BGDATA_LOCAL=/data \
+		-v $$(pwd)/data:/data \
+		-v $$(pwd)/example:/example \
+		oncodrivefml:latest \
+			-i paad.txt.gz -e cds.tsv.gz --signature-correction wx --seed 123 --force
+	@echo "$(BOLDGREEN)==> Success!$(RESET)"
+
+.PHONY: clean
+clean:
+	@echo "$(BOLDGREEN)Cleaning the repository ...$(RESET)"
+	rm -rf ./oncodrivefml.egg-info ./dist $(VENV_DIR) ./.ruff_cache ./.eggs $(DOCS_DIR)/build
+	find oncodrivefml \( -name '*.c' -o -name '*.so' \) -type f -exec rm {} +
+	find . -name "__pycache__" -type d -exec rm -r {} +