Makefile

.PHONY: build check install python clean conda docker

# Set the plugin version from the git tags
export PLUGIN_VERSION=$(shell git describe --tags --dirty)

PLUGIN_CUDA_VERSION ?= 10.0
PLUGIN_DEVICE ?= 0

PLUGIN_CUDA_LABEL = cuda$(shell echo $(PLUGIN_CUDA_VERSION) | sed 's/\.//g')
PLUGIN_DOCKER_IMAGE = openmm-tensorrt-$(PLUGIN_CUDA_LABEL)

BUILD_DIR=build

build:
	mkdir -p $(BUILD_DIR) &&\
	cd $(BUILD_DIR) &&\
	cmake .. \
		-DCMAKE_BUILD_TYPE=Release \
		-DCMAKE_INSTALL_PREFIX=$(CONDA_PREFIX) \
		-DEXTRA_COMPILE_FLAGS="-D_GLIBCXX_USE_CXX11_ABI=0" \
		-DOPENMM_DIR=$(CONDA_PREFIX) \
		&&\
	make -j

check: build
	make -C $(BUILD_DIR) test

install: check
	make -C $(BUILD_DIR) install

python: install
	make -C $(BUILD_DIR) PythonInstall CFLAGS="-D_GLIBCXX_USE_CXX11_ABI=0"

clean:
	$(RM) -r $(BUILD_DIR)

conda:
	conda build conda/openmm-tensorrt \
	            $(CONDA_CHANNEL_LIST) \
	            --python $(PYTHON_VERSION)

docker_image:
	nvidia-docker build --tag $(PLUGIN_DOCKER_IMAGE) \
	                    --build-arg UID=$(shell id --user) \
	                    --build-arg GID=$(shell id --group) \
	                    --build-arg PLUGIN_CUDA_VERSION=$(PLUGIN_CUDA_VERSION) \
	                    --build-arg PLUGIN_CUDA_LABEL=$(PLUGIN_CUDA_LABEL) \
	                    docker

docker: docker_image
	NV_GPU=$(PLUGIN_DEVICE) \
	nvidia-docker run --tty --interactive --rm \
	                  --volume $(shell pwd):/home/user/openmm-tensorrt.git \
	                  $(PLUGIN_DOCKER_IMAGE)