Release/3.19.0

.github/neqsim-engine.sha256

@@ -0,0 +1 @@
+51410f78f6c1d15b22b280836480983e11c21f184eeb5fc8ba0bff985d44fe35  neqsim-3.19.0.jar

.github/workflows/pre-commit.yaml

@@ -3,7 +3,7 @@ name: Run pre-commit on pull-requests (and main branch)
 on:
   pull_request:
   push:
-    branches: [main]
+    branches: [master]
   workflow_dispatch: # Trigger manually
 
 jobs:

.github/workflows/sync-neqsim-engine.yml

@@ -0,0 +1,124 @@
+name: Sync bundled NeqSim engine
+
+on:
+  push:
+    branches:
+      - "release/**"
+    paths:
+      - ".github/neqsim-engine.sha256"
+      - ".github/workflows/sync-neqsim-engine.yml"
+      - "pyproject.toml"
+      - "scripts/generate_component_literals.py"
+      - "scripts/generate_stubs.py"
+  workflow_dispatch:
+    inputs:
+      version:
+        description: "NeqSim release version; defaults to pyproject.toml"
+        required: false
+        type: string
+      jar_sha256:
+        description: "Expected JAR SHA-256; defaults to .github/neqsim-engine.sha256"
+        required: false
+        type: string
+
+permissions:
+  contents: write
+
+concurrency:
+  group: sync-neqsim-engine-${{ github.ref }}
+  cancel-in-progress: false
+
+jobs:
+  sync-engine:
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v7
+        with:
+          ref: ${{ github.ref_name }}
+
+      - name: Resolve release inputs
+        id: release
+        env:
+          INPUT_VERSION: ${{ inputs.version }}
+          INPUT_JAR_SHA256: ${{ inputs.jar_sha256 }}
+        run: |
+          version="${INPUT_VERSION}"
+          if [ -z "${version}" ]; then
+            version="$(python -c 'import tomllib; print(tomllib.load(open("pyproject.toml", "rb"))["project"]["version"])')"
+          fi
+
+          expected_sha256="${INPUT_JAR_SHA256}"
+          if [ -z "${expected_sha256}" ]; then
+            expected_sha256="$(awk 'NR == 1 {print $1}' .github/neqsim-engine.sha256)"
+          fi
+
+          echo "version=${version}" >> "${GITHUB_OUTPUT}"
+          echo "expected_sha256=${expected_sha256}" >> "${GITHUB_OUTPUT}"
+
+      - name: Download and verify NeqSim JAR
+        env:
+          VERSION: ${{ steps.release.outputs.version }}
+          EXPECTED_SHA256: ${{ steps.release.outputs.expected_sha256 }}
+        run: |
+          jar_name="neqsim-${VERSION}.jar"
+          curl -fL --retry 3 --retry-delay 2 \
+            --output "${RUNNER_TEMP}/${jar_name}" \
+            "https://github.com/equinor/neqsim/releases/download/v${VERSION}/${jar_name}"
+
+          actual_sha256="$(sha256sum "${RUNNER_TEMP}/${jar_name}" | awk '{print $1}')"
+          if [ "${actual_sha256}" != "${EXPECTED_SHA256}" ]; then
+            echo "JAR checksum mismatch: expected ${EXPECTED_SHA256}, got ${actual_sha256}" >&2
+            exit 1
+          fi
+
+          find src/neqsim/lib -maxdepth 1 -type f -name 'neqsim-*.jar' -delete
+          mv "${RUNNER_TEMP}/${jar_name}" "src/neqsim/lib/${jar_name}"
+
+      - name: Set up Python
+        uses: actions/setup-python@v6
+        with:
+          python-version: "3.13"
+
+      - name: Set up uv
+        uses: astral-sh/setup-uv@v5
+
+      - name: Set up Java
+        uses: actions/setup-java@v6
+        with:
+          distribution: temurin
+          java-version: "21"
+
+      - name: Regenerate Java API metadata
+        run: |
+          uv sync --group dev
+          uv run python scripts/generate_stubs.py
+          uv run python scripts/generate_api_manifest.py
+          uv run python scripts/generate_component_literals.py
+          uv run python -c 'from pathlib import Path; [compile(path.read_text(encoding="utf-8"), str(path), "exec") for path in Path("src/jneqsim-stubs").rglob("*.pyi")]'
+
+      - name: Commit release artifacts
+        env:
+          VERSION: ${{ steps.release.outputs.version }}
+        run: |
+          if git diff --quiet -- \
+            src/neqsim/lib \
+            src/jneqsim-stubs \
+            src/jpype-stubs \
+            src/neqsim/data/neqsim_api.json.gz \
+            src/neqsim/thermo/component_names.py \
+            src/neqsim/thermo/component_names.pyi; then
+            echo "Bundled engine and generated API metadata are already current."
+            exit 0
+          fi
+
+          git config user.name "github-actions[bot]"
+          git config user.email "41898282+github-actions[bot]@users.noreply.github.com"
+          git add -A \
+            src/neqsim/lib \
+            src/jneqsim-stubs \
+            src/jpype-stubs \
+            src/neqsim/data/neqsim_api.json.gz \
+            src/neqsim/thermo/component_names.py \
+            src/neqsim/thermo/component_names.pyi
+          git commit -m "release: bundle NeqSim Java ${VERSION} and refresh API metadata"
+          git push origin "HEAD:${GITHUB_REF_NAME}"

.pre-commit-config.yaml

@@ -16,3 +16,6 @@ repos:
     rev: 26.5.1
     hooks:
     -   id: black
+        # Java API stubs are generated artifacts owned by stubgenj. Some Java-
+        # derived names are not valid Python syntax and cannot be parsed by Black.
+        exclude: ^src/(jneqsim|jpype)-stubs/

conda/meta.yaml

@@ -1,13 +1,13 @@
 {% set name = "neqsim" %}
-{% set version = "3.18.0" %}
+{% set version = "3.19.0" %}
 
 package:
   name: {{ name|lower }}
   version: {{ version }}
 
 source:
   url: https://pypi.io/packages/source/{{ name[0] }}/{{ name }}/{{ name }}-{{ version }}.tar.gz
-  sha256: d68cdef13335a62fdfa821c1903f0bc038f7adb236ad41d1818a0216ddcb96c1
+  sha256: f9d098a5abdf391e66401fca2bce3cc616bf8a5bb376dc85c1b15a8bdddd7fa2
 
 build:
   number: 0

docs/release-notes/v3.19.0.md

@@ -0,0 +1,48 @@
+# NeqSim Python 3.19.0
+
+NeqSim Python is the Python interface to the NeqSim engine for thermodynamic
+calculations, physical properties, process simulation, and PVT analysis from
+Python and Jupyter notebooks.
+
+## Highlights
+
+- Bundles the NeqSim Java 3.19.0 engine for Java 17 or newer.
+- Makes the thermodynamic, process-simulation, PVT, electrolyte, refinery,
+  dynamics, engineering-diagram, and safety improvements released in NeqSim
+  3.19.0 available through Python and the direct `jneqsim` gateway.
+- Retains Python 3.10–3.14 support and the existing NeqSim Python API.
+
+## Install
+
+Use pip when you already have Java installed:
+
+```bash
+pip install --upgrade neqsim==3.19.0
+```
+
+Use conda when you want OpenJDK installed with the package:
+
+```bash
+conda install -c conda-forge neqsim=3.19.0
+```
+
+Requirements:
+
+- Python 3.10 or newer.
+- Java 17 or newer for pip installs. Download Java from
+  [Adoptium](https://adoptium.net/).
+- Conda installs include OpenJDK through conda-forge.
+
+Verify the installed package version without starting the JVM:
+
+```bash
+python -c "from importlib.metadata import version; print(version('neqsim'))"
+```
+
+## Useful Links
+
+- Full changelog: https://github.com/equinor/neqsim-python/compare/v3.18.0...v3.19.0
+- NeqSim Java 3.19.0 release: https://github.com/equinor/neqsim/releases/tag/v3.19.0
+- Documentation: https://equinor.github.io/neqsimhome/
+- Python examples: https://github.com/equinor/neqsim-python/tree/master/examples
+- Discussions: https://github.com/equinor/neqsim/discussions

environment.yml

@@ -19,4 +19,4 @@ dependencies:
   # Install neqsim from PyPI until conda-forge package is available
   - pip
   - pip:
-    - neqsim==3.18.0
+    - neqsim==3.19.0

examples/equationOfState.py

@@ -212,8 +212,7 @@ def create_wet_gas(eos_name):
 # =============================================================================
 print("\n6. EOS-CG FOR CO2 AND COMBUSTION GASES")
 print("-" * 40)
-print(
-    """
+print("""
 EOS-CG (Equation of State for Combustion Gases) is based on GERG-2008
 but optimized for CO2-rich mixtures and combustion product gases.
 
@@ -225,8 +224,7 @@ def create_wet_gas(eos_name):
   - Blue/green hydrogen with CO2
 
 Components: CO2, N2, O2, Ar, H2O, CO, H2, H2S, SO2, CH4
-"""
-)
+""")
 
 # Create a typical flue gas / CCS mixture
 print("Example: CO2-rich CCS mixture")
@@ -263,8 +261,7 @@ def create_wet_gas(eos_name):
 # =============================================================================
 print("\n7. GUIDELINES FOR EoS SELECTION")
 print("-" * 40)
-print(
-    """
+print("""
 Application                          | Recommended EoS
 -------------------------------------|----------------------
 Natural gas properties               | GERG-2008 (most accurate)
@@ -289,6 +286,5 @@ def create_wet_gas(eos_name):
 Gas hydrates                         | CPA with hydrate model
                                      |
 Electrolyte solutions (brine)        | Electrolyte-CPA
-"""
-)
+""")
 print("=" * 70)

examples/flashCalculations.py

@@ -186,8 +186,7 @@
 print("\n" + "=" * 70)
 print("FLASH CALCULATION SUMMARY")
 print("=" * 70)
-print(
-    """
+print("""
 Flash Type | Given          | Find           | Application
 -----------|----------------|----------------|---------------------------
 TPflash    | T, P           | Phases, comp.  | General equilibrium
@@ -196,6 +195,5 @@
 TVflash    | T, V           | P, phases      | Closed vessels
 VHflash    | V, H           | T, P, phases   | Adiabatic closed systems
 VUflash    | V, U           | T, P, phases   | Isolated systems
-"""
-)
+""")
 print("=" * 70)

examples/fluidCreation.py

@@ -272,8 +272,7 @@
 # =============================================================================
 print("\n9. COMMONLY USED COMPONENTS")
 print("-" * 40)
-print(
-    """
+print("""
 Category           | Component Names
 -------------------|------------------------------------------------
 Light gases        | nitrogen, oxygen, argon, helium, hydrogen, H2S
@@ -288,8 +287,7 @@
 
 Note: For components not in database, use addTBPfraction() or
       addPlusFraction() with MW and density.
-"""
-)
+""")
 
 # =============================================================================
 # 10. ELECTROLYTE FLUIDS

examples/hydrateCalculations.py

@@ -31,8 +31,7 @@
 # =============================================================================
 print("\n1. INTRODUCTION TO GAS HYDRATES")
 print("-" * 40)
-print(
-    """
+print("""
 Gas hydrates form when water and light gases (C1, C2, C3, CO2, H2S)
 combine under high pressure and low temperature conditions.
 
@@ -44,8 +43,7 @@
   - Temperature: Typically < 25°C
   - Pressure: Typically > 10-20 bara
   - Presence of free water
-"""
-)
+""")
 
 # =============================================================================
 # 2. HYDRATE FORMATION TEMPERATURE
@@ -116,16 +114,14 @@
 # =============================================================================
 print("\n4. SUBCOOLING - HYDRATE RISK ASSESSMENT")
 print("-" * 40)
-print(
-    """
+print("""
 Subcooling (ΔT) = Hydrate formation T - Operating T
 
 Interpretation:
   ΔT > 0: Operating BELOW hydrate T → HIGH RISK
   ΔT = 0: At hydrate equilibrium → BORDERLINE
   ΔT < 0: Operating ABOVE hydrate T → SAFE
-"""
-)
+""")
 
 # Example calculation
 gas.setPressure(100.0, "bara")
@@ -228,8 +224,7 @@
 # =============================================================================
 print("\n7. INHIBITOR SELECTION GUIDELINES")
 print("-" * 40)
-print(
-    """
+print("""
 ┌─────────────────────────────────────────────────────────────────┐
 │ Inhibitor Comparison                                            │
 ├────────────┬──────────────────────────────────────────────────┐
@@ -256,16 +251,14 @@
 │            │ ✗ Cannot be regenerated                         │
 │            │ → Best for: Drilling fluids, completion ops     │
 └────────────┴──────────────────────────────────────────────────┘
-"""
-)
+""")
 
 # =============================================================================
 # 8. KINETIC HYDRATE INHIBITORS (KHI)
 # =============================================================================
 print("\n8. KINETIC HYDRATE INHIBITORS (KHI)")
 print("-" * 40)
-print(
-    """
+print("""
 Unlike thermodynamic inhibitors (MEG, MeOH) that shift equilibrium,
 KHIs work by slowing hydrate formation kinetics.
 
@@ -280,25 +273,22 @@
 
 Note: NeqSim primarily calculates thermodynamic equilibrium.
       KHI effects require separate kinetic models.
-"""
-)
+""")
 
 # =============================================================================
 # 9. PRACTICAL EXAMPLE: PIPELINE HYDRATE ASSESSMENT
 # =============================================================================
 print("\n9. PRACTICAL EXAMPLE: PIPELINE HYDRATE ASSESSMENT")
 print("-" * 40)
 
-print(
-    """
+print("""
 Scenario: Subsea pipeline from wellhead to platform
   - Wellhead: 150 bara, 80°C
   - Pipeline arrival: 80 bara, 5°C
   - Gas is water-saturated
 
 Question: Will hydrates form? How much MEG is needed?
-"""
-)
+""")
 
 # Check hydrate risk
 pipeline_gas = fluid("cpa")