Use uv

.github/workflows/generate-stubs.yml

@@ -23,6 +23,9 @@ jobs:
         with:
           python-version: '3.13'
 
+      - name: Set up uv
+        uses: astral-sh/setup-uv@v5
+
       - name: Set up Java
         uses: actions/setup-java@v5
         with:
@@ -31,12 +34,11 @@ jobs:
 
       - name: Install dependencies
         run: |
-          pip install poetry
-          poetry install --with dev
+          uv sync --group dev
 
       - name: Generate stubs
         run: |
-          poetry run python scripts/generate_stubs.py
+          uv run python scripts/generate_stubs.py
 
       - name: Commit updated stubs
         uses: stefanzweifel/git-auto-commit-action@v7

.github/workflows/publish-to-test-pypi.yml

@@ -16,19 +16,16 @@ jobs:
     steps:
     - uses: actions/checkout@v7
 
-    - name: Install poetry
-      run: pipx install poetry
-
     - name: Setup python
       uses: actions/setup-python@v6
       with:
         python-version: 3.13
 
-    - name: Install dependencies
-      run: poetry install --no-interaction
+    - name: Set up uv
+      uses: astral-sh/setup-uv@v5
 
     - name: Build wheel
-      run: poetry build
+      run: uv build
 
     - name: Publish distribution 📦 to PyPI
       uses: pypa/gh-action-pypi-publish@release/v1

.github/workflows/runtests.yml

@@ -16,16 +16,16 @@ jobs:
     steps:
       - uses: actions/checkout@v7
 
-      - name: Install poetry
-        run: pipx install poetry
+      - name: Install uv
+        run: pipx install uv
 
       - name: Setup Python
         uses: actions/setup-python@v6
         with:
           python-version: ${{ matrix.version }}
 
       - name: Install dependencies
-        run: poetry install --no-interaction
+        run: uv sync
 
       - name: Run tests with pytest
-        run: poetry run pytest -p no:faulthandler
+        run: uv run pytest -p no:faulthandler

.vscode/settings.json

@@ -5,4 +5,4 @@
     "python.testing.unittestEnabled": false,
     "python.testing.pytestEnabled": true,
     "python.analysis.extraPaths": ["src"]
-}
+}

conda/conda_build_config.yaml

@@ -4,3 +4,4 @@ python:
   - "3.10"
   - "3.11"
   - "3.12"
+  - "3.13"

conda/meta.yaml

@@ -18,7 +18,7 @@ requirements:
   host:
     - python >=3.9
     - pip
-    - poetry-core
+    - uv-build >=0.11.18,<0.12.0
   run:
     - python >=3.9
     - jpype1 >=1.7.0,<2.0.0

examples/equationOfState.py

@@ -212,7 +212,8 @@ 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.
 
@@ -224,7 +225,8 @@ 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")
@@ -261,7 +263,8 @@ 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)
@@ -286,5 +289,6 @@ def create_wet_gas(eos_name):
 Gas hydrates                         | CPA with hydrate model
                                      |
 Electrolyte solutions (brine)        | Electrolyte-CPA
-""")
+"""
+)
 print("=" * 70)

examples/flashCalculations.py

@@ -186,7 +186,8 @@
 print("\n" + "=" * 70)
 print("FLASH CALCULATION SUMMARY")
 print("=" * 70)
-print("""
+print(
+    """
 Flash Type | Given          | Find           | Application
 -----------|----------------|----------------|---------------------------
 TPflash    | T, P           | Phases, comp.  | General equilibrium
@@ -195,5 +196,6 @@
 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

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

examples/hydrateCalculations.py

@@ -31,7 +31,8 @@
 # =============================================================================
 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.
 
@@ -43,7 +44,8 @@
   - Temperature: Typically < 25°C
   - Pressure: Typically > 10-20 bara
   - Presence of free water
-""")
+"""
+)
 
 # =============================================================================
 # 2. HYDRATE FORMATION TEMPERATURE
@@ -114,14 +116,16 @@
 # =============================================================================
 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")
@@ -224,7 +228,8 @@
 # =============================================================================
 print("\n7. INHIBITOR SELECTION GUIDELINES")
 print("-" * 40)
-print("""
+print(
+    """
 ┌─────────────────────────────────────────────────────────────────┐
 │ Inhibitor Comparison                                            │
 ├────────────┬──────────────────────────────────────────────────┐
@@ -251,14 +256,16 @@
 │            │ ✗ 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.
 
@@ -273,22 +280,25 @@
 
 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")