diff --git a/Makefile b/Makefile index 56d020b..19c6568 100644 --- a/Makefile +++ b/Makefile @@ -61,4 +61,10 @@ help: @uv run python -c "import re; \ [[print(f'\033[36m{m[0]:<20}\033[0m {m[1]}') for m in re.findall(r'^([a-zA-Z_-]+):.*?## (.*)$$', open(makefile).read(), re.M)] for makefile in ('$(MAKEFILE_LIST)').strip().split()]" +.PHONY: deploy +deploy: ## Deploy to site + @echo "🚀 Deploying ComposeAPI to Site" + @kubectl kustomize kustomize/overlays/compose-api-rke | kubectl apply -f - + + .DEFAULT_GOAL := help diff --git a/compose_api/api/routers/templates/copasi.jinja b/compose_api/api/routers/templates/copasi.jinja index 5e02e70..20287c6 100644 --- a/compose_api/api/routers/templates/copasi.jinja +++ b/compose_api/api/routers/templates/copasi.jinja @@ -2,7 +2,7 @@ "state": { "time_course": { "_type": "step", - "address": "local:pbest.registry.simulators.copasi_process.CopasiUTCStep", + "address": "local:pbsim_common.simulators.copasi_process.CopasiUTCStep", "config": { "model_source": "interesting.sbml", "sim_start_time": {{ start_time }}, diff --git a/compose_api/api/routers/templates/tellurium.jinja b/compose_api/api/routers/templates/tellurium.jinja index e7a598c..e02eaab 100644 --- a/compose_api/api/routers/templates/tellurium.jinja +++ b/compose_api/api/routers/templates/tellurium.jinja @@ -2,7 +2,7 @@ "state": { "time_course": { "_type": "step", - "address": "local:pbest.registry.simulators.tellurium_process.TelluriumUTCStep", + "address": "local:pbsim_common.simulators.tellurium_process.TelluriumUTCStep", "config": { "model_source": "interesting.sbml", "sim_start_time": {{ start_time }}, diff --git a/compose_api/common/hpc/models.py b/compose_api/common/hpc/models.py index e2cb574..ac74e8c 100644 --- a/compose_api/common/hpc/models.py +++ b/compose_api/common/hpc/models.py @@ -49,13 +49,16 @@ def get_sacct_format_string() -> str: def from_sacct_formatted_output(cls, line: str) -> "SlurmJob": # Split the line by delimiter fields = line.strip().split("|") + job_state = fields[4] + if "cancelled" in job_state.lower(): # Has 'cancelled by ' which trips up mappings from string to Enum + job_state = "CANCELLED" # so just set it to 'canceled' # Map fields to model attributes return cls( job_id=int(fields[0]), name=fields[1], account=fields[2], user_name=fields[3], - job_state=fields[4], + job_state=job_state, start_time=fields[5], end_time=fields[6], elapsed=fields[7], diff --git a/compose_api/common/hpc/slurm_service.py b/compose_api/common/hpc/slurm_service.py index 5167c93..8b5e584 100644 --- a/compose_api/common/hpc/slurm_service.py +++ b/compose_api/common/hpc/slurm_service.py @@ -32,9 +32,7 @@ async def get_job_status_squeue(self, job_ids: list[int] | None = None) -> list[ return slurm_jobs async def get_job_status_sacct(self, job_ids: list[int] | None = None) -> list[SlurmJob]: - command = ( - f'sacct -u $USER --parsable --delimiter="|" --noheader --format="{SlurmJob.get_sacct_format_string()}"' - ) + command = f'sacct -u $USER --parsable --allocations --delimiter="|" --noheader --format="{SlurmJob.get_sacct_format_string()}"' # noqa: E501 if job_ids is not None: job_ids_str = ",".join(map(str, job_ids)) if len(job_ids) > 1 else str(job_ids[0]) command = command + f" -j {job_ids_str}" diff --git a/compose_api/db/tables/hpc_tables.py b/compose_api/db/tables/hpc_tables.py index 1c6d74f..9ec5886 100644 --- a/compose_api/db/tables/hpc_tables.py +++ b/compose_api/db/tables/hpc_tables.py @@ -25,6 +25,11 @@ class JobStatusDB(enum.Enum): COMPLETED = "completed" FAILED = "failed" PENDING = "pending" + CANCELLED = "cancelled" + OUT_OF_MEMORY = "out_of_memory" + SUSPENDED = "suspended" + TIMEOUT = "timeout" + UNKNOWN = "unknown" def to_job_status(self) -> JobStatus: return JobStatus(self.value) diff --git a/compose_api/simulation/handlers.py b/compose_api/simulation/handlers.py index 2b393bd..628691c 100644 --- a/compose_api/simulation/handlers.py +++ b/compose_api/simulation/handlers.py @@ -126,7 +126,7 @@ async def run_curated_pbif( # Create OMEX with all necessary files with tempfile.TemporaryDirectory(delete=False) as tmp_dir: with zipfile.ZipFile(tmp_dir + "/input.omex", "w") as omex: - omex.writestr(data=templated_pbif, zinfo_or_arcname=f"{simulator_name}.pbif") + omex.writestr(data=templated_pbif, zinfo_or_arcname=f"{simulator_name}.pbg") if use_interesting: omex.write(loaded_sbml.absolute(), arcname="interesting.sbml") else: diff --git a/compose_api/simulation/job_monitor.py b/compose_api/simulation/job_monitor.py index fe4090b..c561ae9 100644 --- a/compose_api/simulation/job_monitor.py +++ b/compose_api/simulation/job_monitor.py @@ -100,15 +100,26 @@ async def update_running_jobs(self) -> None: slurm_job = slurm_job_map.get(hpc_run.slurmjobid) if not slurm_job or not slurm_job.job_state: continue - new_status = JobStatus(slurm_job.job_state.lower()) - if new_status == hpc_run.status: - logger.debug(f"HpcRun {hpc_run.database_id} is still running with status {new_status}") - continue - if hpc_run.status != new_status: + try: + new_status = JobStatus(slurm_job.job_state.lower()) + if new_status == hpc_run.status: + logger.debug(f"HpcRun {hpc_run.database_id} is still running with status {new_status}") + continue + if hpc_run.status != new_status: + await self.database_service.get_hpc_db().update_hpcrun_status( + hpcrun_id=hpc_run.database_id, new_slurm_job=slurm_job + ) + logger.info(f"Updated HpcRun {hpc_run.database_id} status to {new_status}") + except ValueError as e: + logger.exception( + f"Error updating HpcRun {hpc_run.database_id} to status {slurm_job.job_state.lower()}." + f" Setting status to UNKNOWN.", + exc_info=e, + ) + slurm_job.job_state = JobStatus.UNKNOWN.upper() await self.database_service.get_hpc_db().update_hpcrun_status( hpcrun_id=hpc_run.database_id, new_slurm_job=slurm_job ) - logger.info(f"Updated HpcRun {hpc_run.database_id} status to {new_status}") if slurm_job.job_id in self.internal_listeners: self.internal_listeners[slurm_job.job_id].put_nowait(hpc_run) diff --git a/compose_api/simulation/models.py b/compose_api/simulation/models.py index e08cc7e..3101c6c 100644 --- a/compose_api/simulation/models.py +++ b/compose_api/simulation/models.py @@ -64,6 +64,11 @@ class JobStatus(StrEnum): COMPLETED = "completed" FAILED = "failed" PENDING = "pending" + CANCELLED = "cancelled" + OUT_OF_MEMORY = "out_of_memory" + SUSPENDED = "suspended" + TIMEOUT = "timeout" + UNKNOWN = "unknown" class HpcRun(BaseModel): diff --git a/compose_api/simulation/simulation_service.py b/compose_api/simulation/simulation_service.py index 4b0a584..4f2d217 100644 --- a/compose_api/simulation/simulation_service.py +++ b/compose_api/simulation/simulation_service.py @@ -163,8 +163,8 @@ async def build_container(self, simulator_version: SimulatorVersion, random_str: #SBATCH --cpus-per-task 1 #SBATCH --mem=4GB #SBATCH --nodelist={settings.slurm_build_node} - #SBATCH --partition=general - #SBATCH --qos=general + #SBATCH --partition={settings.slurm_partition} + #SBATCH --qos={settings.slurm_qos} #SBATCH --output={get_slurm_log_file(slurm_job_name=slurm_job_name)} set -e diff --git a/compose_api/version.py b/compose_api/version.py index a8d4557..4ad67eb 100644 --- a/compose_api/version.py +++ b/compose_api/version.py @@ -1 +1 @@ -__version__ = "0.3.5" +__version__ = "0.3.8" diff --git a/kustomize/config/compose-api-rke/shared.env b/kustomize/config/compose-api-rke/shared.env index 7a2829b..23cb455 100644 --- a/kustomize/config/compose-api-rke/shared.env +++ b/kustomize/config/compose-api-rke/shared.env @@ -2,10 +2,10 @@ SLURM_SUBMIT_HOST=hamantis.cam.uchc.edu SLURM_SUBMIT_USER=crbmapi #SLURM_SUBMIT_KEY_PATH=/run/secrets/slurmsubmitkeyfile/ssh-privatekey -SLURM_PARTITION=general -SLURM_NODE_LIST=mantis-039 -SLURM_BUILD_NODE=mantis-007 -SLURM_QOS=general +SLURM_PARTITION=vcell +SLURM_NODE_LIST=mantis-042 +SLURM_BUILD_NODE=mantis-042 +SLURM_QOS=vcell SLURM_LOG_BASE_PATH=/home/FCAM/crbmapi/compose_api/prod/htclogs SLURM_SBATCH_BASE_PATH=/home/FCAM/crbmapi/compose_api/prod/slurm_sbatch HPC_IMAGE_BASE_PATH=/home/FCAM/crbmapi/compose_api/prod/images diff --git a/kustomize/overlays/compose-api-rke/kustomization.yaml b/kustomize/overlays/compose-api-rke/kustomization.yaml index 5da563e..5c773b4 100644 --- a/kustomize/overlays/compose-api-rke/kustomization.yaml +++ b/kustomize/overlays/compose-api-rke/kustomization.yaml @@ -5,7 +5,7 @@ namespace: compose-api-rke images: - name: ghcr.io/biosimulations/compose-api - newTag: 0.3.4 + newTag: 0.3.8 - name: docker.io/library/mongo newTag: 8.0.12 diff --git a/pyproject.toml b/pyproject.toml index 7aa3f8f..3c8fd4d 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,6 +1,6 @@ [project] name = "compose-api" -version = "0.3.5" +version = "0.3.8" description = "An API server for reproducible biological workflows and cosimulations." authors = [{ name = "Jim Schaff", email = "schaff@uchc.edu" }] 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