Merge pull request pybamm-team#3550 from agriyakhetarpal/bump-jax-jax…

…lib-versions

Upgrade to newest versions of `jax` + `jaxlib` and add Windows support for JAX Solver

.github/workflows/docker.yml

@@ -48,8 +48,7 @@ jobs:
             echo "tag=all" >> "$GITHUB_OUTPUT"
           fi
 
-      - name: Build and push Docker image to Docker Hub (no solvers)
-        if: matrix.build-args == 'No solvers'
+      - name: Build and push Docker image to Docker Hub (${{ matrix.build-args }})
         uses: docker/build-push-action@v5
         with:
           context: .
@@ -58,29 +57,5 @@ jobs:
           push: true
           platforms: linux/amd64, linux/arm64
 
-      - name: Build and push Docker image to Docker Hub (with ODES and IDAKLU solvers)
-        if: matrix.build-args == 'ODES' || matrix.build-args == 'IDAKLU'
-        uses: docker/build-push-action@v5
-        with:
-          context: .
-          file: scripts/Dockerfile
-          tags: pybamm/pybamm:${{ steps.tags.outputs.tag }}
-          push: true
-          build-args: ${{ matrix.build-args }}=true
-          platforms: linux/amd64, linux/arm64
-
-      - name: Build and push Docker image to Docker Hub (with ALL and JAX solvers)
-        if: matrix.build-args == 'ALL' || matrix.build-args == 'JAX'
-        uses: docker/build-push-action@v5
-        with:
-          context: .
-          file: scripts/Dockerfile
-          tags: pybamm/pybamm:${{ steps.tags.outputs.tag }}
-          push: true
-          build-args: ${{ matrix.build-args }}=true
-          # exclude arm64 for JAX and ALL builds for now, see
-          # https://github.com/google/jax/issues/13608
-          platforms: linux/amd64
-
       - name: List built image(s)
         run: docker images

CHANGELOG.md

@@ -14,6 +14,14 @@
 - Fixed bug in calculation of theoretical energy that made it very slow ([#3506](https://github.com/pybamm-team/PyBaMM/pull/3506))
 - The irreversible plating model now increments `f"{Domain} dead lithium concentration [mol.m-3]"`, not `f"{Domain} lithium plating concentration [mol.m-3]"` as it did previously. ([#3485](https://github.com/pybamm-team/PyBaMM/pull/3485))
 
+## Optimizations
+
+- Updated `jax` and `jaxlib` to the latest available versions and added Windows (Python 3.9+) support for the Jax solver ([#3550](https://github.com/pybamm-team/PyBaMM/pull/3550))
+
+## Breaking changes
+
+- Dropped support for the `[jax]` extra, i.e., the Jax solver when running on Python 3.8. The Jax solver is now available on Python 3.9 and above ([#3550](https://github.com/pybamm-team/PyBaMM/pull/3550))
+
 # [v23.9](https://github.com/pybamm-team/PyBaMM/tree/v23.9) - 2023-10-31
 
 ## Features

docs/source/user_guide/installation/GNU-linux.rst

@@ -133,7 +133,10 @@ Optional - JaxSolver
 ~~~~~~~~~~~~~~~~~~~~
 
 Users can install ``jax`` and ``jaxlib`` to use the Jax solver.
-Currently, only GNU/Linux and macOS are supported.
+
+.. note::
+
+   The Jax solver is not supported on Python 3.8. It is supported on Python 3.9, 3.10, and 3.11.
 
 .. code:: bash
 

docs/source/user_guide/installation/index.rst

@@ -217,13 +217,13 @@ Dependency                                                  Minimum Version    p
 Jax dependencies
 ^^^^^^^^^^^^^^^^^
 
-Installable with ``pip install "pybamm[jax]"``
+Installable with ``pip install "pybamm[jax]"``, currently supported on Python 3.9-3.11.
 
 ========================================================================= ================== ================== =======================
 Dependency                                                                Minimum Version    pip extra          Notes
 ========================================================================= ================== ================== =======================
-`JAX <https://jax.readthedocs.io/en/latest/notebooks/quickstart.html>`__  0.4.8              jax                For JAX solvers
-`jaxlib <https://pypi.org/project/jaxlib/>`__                             0.4.7              jax                Support library for JAX
+`JAX <https://jax.readthedocs.io/en/latest/notebooks/quickstart.html>`__  0.4.20             jax                For the JAX solver
+`jaxlib <https://pypi.org/project/jaxlib/>`__                             0.4.20             jax                Support library for JAX
 ========================================================================= ================== ================== =======================
 
 .. _install.odes_dependencies:

docs/source/user_guide/installation/windows.rst

@@ -66,6 +66,21 @@ installed automatically when you install PyBaMM using ``pip``.
 For an introduction to virtual environments, see
 (https://realpython.com/python-virtual-environments-a-primer/).
 
+Optional - JaxSolver
+~~~~~~~~~~~~~~~~~~~~
+
+Users can install ``jax`` and ``jaxlib`` to use the Jax solver.
+
+.. note::
+
+   The Jax solver is not supported on Python 3.8. It is supported on Python 3.9, 3.10, and 3.11.
+
+.. code:: bash
+
+	  pip install "pybamm[jax]"
+
+The ``pip install "pybamm[jax]"`` command automatically downloads and installs ``pybamm`` and the compatible versions of ``jax`` and ``jaxlib`` on your system. (``pybamm_install_jax`` is deprecated.)
+
 Uninstall PyBaMM
 ----------------
 

noxfile.py

@@ -61,9 +61,12 @@ def run_coverage(session):
     set_environment_variables(PYBAMM_ENV, session=session)
     session.install("coverage", silent=False)
     if sys.platform != "win32":
-        session.install("-e", ".[all,odes,jax]", silent=False)
+        session.install("-e", ".[all,jax,odes]", silent=False)
     else:
-        session.install("-e", ".[all]", silent=False)
+        if sys.version_info < (3, 9):
+            session.install("-e", ".[all]", silent=False)
+        else:
+            session.install("-e", ".[all,jax]", silent=False)
     session.run("coverage", "run", "run-tests.py", "--nosub")
     session.run("coverage", "combine")
     session.run("coverage", "xml")
@@ -74,9 +77,12 @@ def run_integration(session):
     """Run the integration tests."""
     set_environment_variables(PYBAMM_ENV, session=session)
     if sys.platform != "win32":
-        session.install("-e", ".[all,odes,jax]", silent=False)
+        session.install("-e", ".[all,jax,odes]", silent=False)
     else:
-        session.install("-e", ".[all]", silent=False)
+        if sys.version_info < (3, 9):
+            session.install("-e", ".[all]", silent=False)
+        else:
+            session.install("-e", ".[all,jax]", silent=False)
     session.run("python", "run-tests.py", "--integration")
 
 
@@ -92,9 +98,12 @@ def run_unit(session):
     """Run the unit tests."""
     set_environment_variables(PYBAMM_ENV, session=session)
     if sys.platform != "win32":
-        session.install("-e", ".[all,odes,jax]", silent=False)
+        session.install("-e", ".[all,jax,odes]", silent=False)
     else:
-        session.install("-e", ".[all]", silent=False)
+        if sys.version_info < (3, 9):
+            session.install("-e", ".[all]", silent=False)
+        else:
+            session.install("-e", ".[all,jax]", silent=False)
     session.run("python", "run-tests.py", "--unit")
 
 
@@ -144,17 +153,37 @@ def set_dev(session):
             external=True,
         )
     else:
-        session.run(python, "-m", "pip", "install", "-e", ".[all,dev]", external=True)
+        if sys.version_info < (3, 9):
+            session.run(
+                python,
+                "-m",
+                "pip",
+                "install",
+                ".[all,dev]",
+                external=True,
+            )
+        else:
+            session.run(
+                python,
+                "-m",
+                "pip",
+                "install",
+                ".[all,dev,jax]",
+                external=True,
+            )
 
 
 @nox.session(name="tests")
 def run_tests(session):
     """Run the unit tests and integration tests sequentially."""
     set_environment_variables(PYBAMM_ENV, session=session)
     if sys.platform != "win32":
-            session.install("-e", ".[all,odes,jax]", silent=False)
+            session.install("-e", ".[all,jax,odes]", silent=False)
     else:
-        session.install("-e", ".[all]", silent=False)
+        if sys.version_info < (3, 9):
+            session.install("-e", ".[all]", silent=False)
+        else:
+            session.install("-e", ".[all,jax]", silent=False)
     session.run("python", "run-tests.py", "--all")
 
 

pyproject.toml

@@ -3,7 +3,7 @@ requires = [
     "setuptools>=64",
     "wheel",
     # On Windows, use the CasADi vcpkg registry and CMake bundled from MSVC
-    "casadi>=3.6.0; platform_system!='Windows'",
+    "casadi>=3.6.3; platform_system!='Windows'",
     "cmake; platform_system!='Windows'",
     ]
 build-backend = "setuptools.build_meta"
@@ -110,13 +110,13 @@ dev = [
     "nbmake",
 ]
 # Reading CSV files
-pandas =  [
+pandas = [
     "pandas>=1.5.0",
 ]
 # For the Jax solver. Note: these must be kept in sync with the versions defined in pybamm/util.py.
 jax = [
-    "jax>=0.4,<=0.5",
-    "jaxlib>=0.4,<=0.5",
+    "jax==0.4.20; python_version >= '3.9'",
+    "jaxlib==0.4.20; python_version >= '3.9'",
 ]
 # For the scikits.odes solver
 odes = [

tests/unit/test_expression_tree/test_operations/test_evaluate_python.py

@@ -503,7 +503,7 @@ def test_evaluator_jax(self):
         expr = pybamm.exp(a * b)
         evaluator = pybamm.EvaluatorJax(expr)
         result = evaluator(t=None, y=np.array([[2], [3]]))
-        self.assertEqual(result, np.exp(6))
+        np.testing.assert_array_almost_equal(result, np.exp(6), decimal=15)
 
         # test a constant expression
         expr = pybamm.Scalar(2) * pybamm.Scalar(3)