mirror of
https://github.com/rdkit/rdkit.git
synced 2026-06-04 21:54:27 +08:00
* add missing default values to docker-compose configuration * remove unnecessary network settings --------- Co-authored-by: ptosco <paolo.tosco@novartis.com>
61 lines
2.0 KiB
YAML
61 lines
2.0 KiB
YAML
# This docker-compose file is used to build the RDKit MinimalLib
|
|
# from either GitHub or a local source tree.
|
|
# The build consists of three stages (services):
|
|
# 1. `deps`: This service builds the dependencies required for RDKit.
|
|
# 2. `rdkit_get_src`: This service gets the RDKit source code from
|
|
# either from GitHub (GET_SRC=clone_from_github, the default)
|
|
# or from a local source tree (GET_SRC=copy_from_local)
|
|
# into the Docker image.
|
|
# 3. `rdkit_build`: This service builds the RDKit MinimalLib using
|
|
# the dependencies built in the first service and the source code
|
|
# copied in the second service.
|
|
#
|
|
# Example usage:
|
|
# (the --build-arg are all optional)
|
|
#
|
|
# GET_SRC=copy_from_local \
|
|
# docker-compose -f docker_compose_build_minimallib.yml build \
|
|
# --build-arg http_proxy=$HTTP_PROXY \
|
|
# --build-arg http_proxy=$HTTP_PROXY \
|
|
# --build-arg https_proxy=$HTTP_PROXY \
|
|
# --build-arg "EXCEPTION_HANDLING=-fwasm-exceptions" \
|
|
# 2>&1 | tee docker-compose.log
|
|
#
|
|
# Once the build is finished, you can run the following command to
|
|
# export the buildartifacts to your local filesystem:
|
|
#
|
|
# DOCKER_BUILDKIT=1 docker build -f Dockerfile_4_rdkit_export -o ../demo .
|
|
|
|
services:
|
|
rdkit_deps:
|
|
environment:
|
|
- NETWORK_MODE=${NETWORK_MODE:-bridge}
|
|
network_mode: ${NETWORK_MODE:-bridge}
|
|
build:
|
|
context: .
|
|
dockerfile: Dockerfile_1_deps
|
|
image: rdkit-minimallib-deps:latest
|
|
|
|
rdkit_get_src:
|
|
environment:
|
|
- NETWORK_MODE=${NETWORK_MODE:-bridge}
|
|
- GET_SRC=${GET_SRC:-clone_from_github}
|
|
network_mode: ${NETWORK_MODE:-bridge}
|
|
build:
|
|
context: ../../..
|
|
dockerfile: ./Code/MinimalLib/docker/Dockerfile_2_rdkit_${GET_SRC:-clone_from_github}
|
|
image: rdkit-minimallib-rdkit-src:latest
|
|
depends_on:
|
|
- rdkit_deps
|
|
|
|
rdkit_build:
|
|
environment:
|
|
- NETWORK_MODE=${NETWORK_MODE:-bridge}
|
|
network_mode: ${NETWORK_MODE:-bridge}
|
|
build:
|
|
context: .
|
|
dockerfile: Dockerfile_3_rdkit_build
|
|
image: rdkit-minimallib:latest
|
|
depends_on:
|
|
- rdkit_get_src
|