A new agentic AI use case on energy sector subsurface simulation

industries/energy/simulation-workflow-agent/.dockerignore

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+.git
+.gitignore
+.venv
+dataset/
+sim_agent/.venv/
+workflow_agent/.venv/
+**/__pycache__/
+**/*.pyc
+**/.pytest_cache/
+**/.mypy_cache/
+**/.ruff_cache/
+**/.DS_Store
+**/*.ipynb_checkpoints
+sim_agent/chroma_db/
+sim_agent/volumes/

industries/energy/simulation-workflow-agent/.gitignore

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+# Python
+__pycache__/
+pdf2png/
+png2txt/
+processed_png2txt_list.md
+*.py[cod]
+*$py.class
+*.so
+.Python
+env/
+venv/
+.venv/
+**/.venv.clean/
+ENV/
+build/
+develop-eggs/
+dist/
+downloads/
+eggs/
+.eggs/
+lib/
+lib64/
+parts/
+sdist/
+var/
+wheels/
+*.egg-info/
+.installed.cfg
+.processed_txt_files.md
+*.egg
+
+# IDEs
+.vscode/
+.idea/
+*.swp
+*.swo
+*~
+.DS_Store
+
+# Testing
+tests/
+.pytest_cache/
+.coverage
+htmlcov/
+*.cover
+# test_*.py
+debug_*.py
+
+# Docker volumes and runtime data
+volumes/
+sim_agent/volumes/
+
+# Etcd data
+**/etcd/
+
+# Logs
+*.log
+**/logs/
+
+# Environment files
+.env
+.env.local
+
+# Temporary files
+tmp/
+temp/
+*.tmp
+
+# Vector databases
+*.db
+*.index
+chroma/
+chroma_db/
+# volumes/milvus (runtime data) covered by volumes/ above
+
+# Output and cache
+test_output/
+output/
+workflow_agent/experiments/
+
+# Optimization: generated simulation dirs (dataset/CASE/CASE_RUN.sim/)
+**/*.sim/
+
+# Flow diagnostics output
+**/*.fdout/
+
+# Example cases - generated outputs
+ressim_agent/data/example_cases/SPE10/**/*.RSM
+ressim_agent/data/example_cases/SPE10/**/*_AGENT_GENERATED.DATA
+ressim_agent/data/example_cases/SPE10/**/plot_*.png
+ressim_agent/data/example_cases/SPE10/**/*_FIXED.DATA
+
+*.DBG
+*.EGRID
+*.INIT
+*.PRT
+*.SMSPEC
+*.UNRST
+*.UNSMRY
+
+# Knowledge base - large files (downloaded via download_required.sh)
+ressim_agent/data/knowledge_base/papers/*.pdf
+ressim_agent/data/knowledge_base/papers/.ocr_OPM_Flow_Reference_Manual_2025-10/txts/
+ressim_agent/data/knowledge_base/repos/
+sim_agent/data/knowledge_base/repos/
+data/knowledge_base/repos/
+ressim_agent/data/knowledge_base/examples
+workflow_agent/knowledge_base/manuals/*.pdf
+workflow_agent/workflow/dataset/**/*.GRDECL
+dataset/**/*.GRDECL

industries/energy/simulation-workflow-agent/Dockerfile

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+# Unified simulation-agent image: orchestration, ressim, and workflow agents.
+# Build from repo root: docker build -f Dockerfile -t simulation-agent:latest .
+#
+# Reuses the same base and patterns as sim_agent/Dockerfile and workflow_agent/Dockerfile.
+
+FROM ubuntu:24.04
+
+# License notes:
+#   Application code: Apache-2.0
+#   OPM Flow binaries (libopm-simulators*): GPL-3.0-or-later — bundled as a
+#   standalone external executable invoked via subprocess; not linked into the
+#   application. GPL does not propagate across the process boundary.
+#   See /usr/share/licenses/opm/NOTICE.txt (in image) for source offer.
+LABEL org.opencontainers.image.licenses="Apache-2.0 AND GPL-3.0-or-later"
+
+ENV DEBIAN_FRONTEND=noninteractive
+ENV PYTHONUNBUFFERED=1
+ENV PIP_PREFER_BINARY=1
+
+WORKDIR /workspace
+
+# System deps: PDF parsing, OPM Flow (shared by ressim and workflow)
+RUN apt-get update && apt-get install -y --no-install-recommends \
+    software-properties-common \
+    gnupg \
+    git \
+    wget \
+    curl \
+    ca-certificates \
+    build-essential \
+    poppler-utils \
+    python3 \
+    python3-venv \
+    python3-dev \
+    python3-pip \
+    && add-apt-repository ppa:opm/ppa \
+    && apt-get update \
+    && apt-get install -y --no-install-recommends \
+        libopm-simulators-bin \
+        libopm-simulators \
+    && rm -rf /var/lib/apt/lists/*
+
+# GPL-3.0 compliance: embed notice and source pointer for OPM binaries
+COPY LICENSES/OPM-GPL3-NOTICE.txt /usr/share/licenses/opm/NOTICE.txt
+
+# Copy all agent components (order for layer caching: least-changed first)
+COPY config /workspace/config
+COPY llm_provider /workspace/llm_provider
+COPY orchestration_agent /workspace/orchestration_agent
+COPY sim_agent /workspace/sim_agent
+COPY workflow_agent /workspace/workflow_agent
+
+# Install sim_agent (provides LangChain, LangGraph, openai, OPM tools)
+WORKDIR /workspace/sim_agent
+RUN python3 -m venv /opt/venv && \
+    /opt/venv/bin/pip install --upgrade pip && \
+    /opt/venv/bin/pip install --only-binary=:all: grpcio && \
+    /opt/venv/bin/pip install -e ".[rag,analysis,flow_diagnostics]" && \
+    /opt/venv/bin/pip install openai
+
+# Install workflow_agent (optimization deps + agentic)
+WORKDIR /workspace/workflow_agent
+RUN /opt/venv/bin/pip install -r workflow/optimization/requirements.txt && \
+    /opt/venv/bin/pip install -e .
+
+ENV PATH="/opt/venv/bin:$PATH"
+
+# OPM_FLOW_EXTRA_ARGS wrapper (e.g. --CheckSatfuncConsistency=0)
+RUN echo '' >> /root/.bashrc && \
+    echo 'flow() { command flow "$@" $OPM_FLOW_EXTRA_ARGS; }' >> /root/.bashrc
+
+WORKDIR /workspace
+
+# Default: run orchestration (interactive ressim chat)
+CMD ["python", "-m", "orchestration_agent", "--interactive"]

industries/energy/simulation-workflow-agent/LICENSE

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