Merge pull request #137 from jpmorganchase/pybobyqa-to-py-bobyqa

Update pyproject.toml and add tests

Author: alex124585

.github/workflows/qokit-package.yml

@@ -18,7 +18,7 @@ jobs:
       matrix:
         os: [ubuntu-latest, macos-latest]
         python-version: ["3.10", "3.11"]
-        
+
     steps:
     - uses: actions/checkout@v3
     - name: Set up Python ${{ matrix.python-version }}
@@ -33,18 +33,22 @@ jobs:
     - name: black check
       run:  |
           black --check .
-          
-    - name: pip install   
+
+    - name: pip install
+      run: |
+          pip install .
+
+    - name: Verify xorsat-optimize extra installs cleanly
       run: |
-          pip install .  
-          
-    - name: Run tests 
+          pip install '.[xorsat-optimize]'
+
+    - name: Run tests
       run: |
-         pytest --cov=qokit --cov-fail-under=75 -rs tests 
+         pytest --cov=qokit --cov-fail-under=75 -rs tests
     - name: License check
       run: |
         pip-licenses --format=markdown --order=license
-        
+
     - name: SPDX check
       run: |
        addheader -t header.txt .

README.md

@@ -27,11 +27,11 @@ pip install -e .
 ```
 
 Some optional parts of the package require additional dependencies. 
-- GPU simulation: `pip install -e .[GPU-CUDA12]`
-- Generating LP files to solve LABS using commercial IP solvers (`qokit/classical_methods` and `examples/advanced/classical_solvers_for_LABS/`): `pip install -e .[solvers]`
-- Max-k-XOR-SAT with JAX (CPU-only): `pip install -e .[xorsat-jax]`
-- Max-k-XOR-SAT with JAX + CUDA GPU: `pip install -e .[xorsat-gpu]`
-- Max-k-XOR-SAT angle optimization (requires BOBYQA): `pip install -e .[xorsat-optimize]`
+- GPU simulation: `pip install -e '.[GPU-CUDA12]'`
+- Generating LP files to solve LABS using commercial IP solvers (`qokit/classical_methods` and `examples/advanced/classical_solvers_for_LABS/`): `pip install -e '.[solvers]'`
+- Max-k-XOR-SAT with JAX (CPU-only): `pip install -e '.[xorsat-jax]'`
+- Max-k-XOR-SAT with JAX + CUDA GPU: `pip install -e '.[xorsat-gpu]'`
+- Max-k-XOR-SAT angle optimization (requires BOBYQA): `pip install -e '.[xorsat-optimize]'`
 
 Please note that the GPU dependency is specified for CUDA 12x. For other versions of CUDA, please follow cupy installation instructions.
 
@@ -57,7 +57,7 @@ It ships two backends (at least one must be available):
   make -j
   ```
   If `cmake` is not installed, the C++ backend is silently skipped.
-- **JAX**: float64 only, forward-mode JVP gradient, JIT-compiled. Install with `pip install -e .[xorsat-jax]` (CPU) or `pip install -e .[xorsat-gpu]` (CUDA GPU).
+- **JAX**: float64 only, forward-mode JVP gradient, JIT-compiled. Install with `pip install -e '.[xorsat-jax]'` (CPU) or `pip install -e '.[xorsat-gpu]'` (CUDA GPU).
 
 See [`examples/QAOA_max_k_xor_sat.ipynb`](./examples/QAOA_max_k_xor_sat.ipynb) for a usage demo.
 

pyproject.toml

@@ -54,7 +54,7 @@ xorsat-gpu = [
     'jax[cuda12]'
 ]
 xorsat-optimize = [
-    'pybobyqa',
+    'py-bobyqa',
     'scipy>=1.10.1'
 ]
 

tests/test_max_k_xor_sat.py

@@ -3,6 +3,7 @@
 # // Copyright : JP Morgan Chase & Co
 ###############################################################################
 """Tests for the max_k_xor_sat module."""
+import importlib.metadata
 import numpy as np
 import pytest
 
@@ -203,6 +204,17 @@ def test_load_nonexistent_config():
         load_precomputed_results(99, 99)
 
 
+def test_xorsat_optimize_dep_name():
+    """xorsat-optimize must declare 'Py-BOBYQA'"""
+    requires = importlib.metadata.requires("qokit") or []
+    bobyqa_deps = [r for r in requires if "bobyqa" in r.lower()]
+    assert bobyqa_deps, "No bobyqa dependency found in qokit metadata"
+    for dep in bobyqa_deps:
+        pkg = dep.split(";")[0].strip().split()[0].lower()
+        assert pkg != "pybobyqa", f"Dependency '{dep}' uses the typo'd name 'pybobyqa' — use 'Py-BOBYQA' instead"
+        assert pkg in ("py-bobyqa", "py_bobyqa"), f"Unexpected bobyqa dependency name '{pkg}' — expected 'py-bobyqa'"
+
+
 # ============================================================
 # C++ backend tests
 # ============================================================