1. Build Java and Python ```bash pushd ../../ mvn clean install dependency:copy-dependencies -DskipTests=true popd ``` ```bash poetry install -C ../../vcell-cli-utils poetry install -C ../swarm/vcell-admin poetry install -C ../../pythonCopasiOpt/vcell-opt poetry install -C ../../pythonVtk poetry install -C ../../python-utils poetry install -C ../../python-restclient poetry install -C ../../pythonData ``` 2. Build and push Docker and Singularity containers (without building clients) ```bash pushd ../build ./build.sh --skip-maven --skip-singularity --skip-sudo all ghcr.io/virtualcell dev popd ``` on cluster (e.g. xanadu-76) as user vcell build vcell-opt singularity container ```bash export TAG=dev export TAG=7.6.0.31 export SINGULARITY_MODULE=singularity/vcell-3.10.0 export docker_image=ghcr.io/virtualcell/vcell-opt:${TAG} export singularity_file=ghcr.io_virtualcell_vcell-opt_${TAG}.img module load ${SINGULARITY_MODULE} # singularity remote login -u -p docker://ghcr.io singularity build --force ${singularity_file} docker://${docker_image} cp ${singularity_file} /state/partition1/singularityImages/ cp ${singularity_file} /share/apps/vcell3/singularityImages/ ``` also, make sure vcell-batch container is current. 1. build vcell-batch container as usual 2. create vcell-batch singularity image on server on cluster (e.g. xanadu-76) as user vcell build vcell-batch singularity container ```bash export TAG=dev export TAG=7.6.0.31 export SINGULARITY_MODULE=singularity/vcell-3.10.0 export docker_image=ghcr.io/virtualcell/vcell-batch:${TAG} export singularity_file=ghcr.io_virtualcell_vcell-batch_${TAG}.img module load ${SINGULARITY_MODULE} #singularity remote login -u -p docker://ghcr.io singularity build --force ${singularity_file} docker://${docker_image} cp ${singularity_file} /state/partition1/singularityImages/ cp ${singularity_file} /share/apps/vcell3/singularityImages/ ``` 3. Update local configuration to run locally (stored in /docker_env.txt) ```bash ./localconfig_realslurm_postgres.sh TEST ghcr.io/virtualcell dev 7.5.0 1234 ../../docker_env_postgres.txt ./localconfig_realslurm_oracle.sh TEST ghcr.io/virtualcell dev 7.5.0 1234 ../../docker_env_oracle.txt ``` 5. run local middleware services 1. Postgres on 0.0.0.0 (not just loopback adapter) 2. run local MongoDB on 0.0.0.0 (not just loopback adapter) 6. make sure ActiveMQ is still running on UCHC cluster according to config in [docker-compose.yml](./docker-compose.yml) * for example: * VCELL_JMS_SIM_HOST_EXTERNAL=vcell-node3.cam.uchc.edu * VCELL_JMS_SIM_PORT_EXTERNAL=61619 * VCELL_JMS_SIM_RESTPORT_EXTERNAL=8164 * this is needed so that batch and opt jobs running on Slurm can send status, and listen for kills. 5. execute docker compose using [docker-compose.yml](./docker-compose.yml) with environment variable configuration in [docker_env_postgres.txt](../../docker_env_postgres.txt) or [docker_env_oracle.txt](../../docker_env_oracle.txt) in IDE (intellij) 6. execute local VCell GUI (VCellClientMain) pointing to local backend (vcell-api port as defined in [docker-compose.yml](./docker-compose.yml))