Update get-extensions and setup-environment logic for new major release of extensions

.github/actions/setup-idaes/action.yml

@@ -12,6 +12,13 @@ inputs:
     description: pip install target (dist name and optionally version constraint) of AMPL SCIP solver to install
     required: false
     default: ampl-module-scip
+  version:
+    description: >-
+      IDAES extensions release to install (e.g. 4.0.0rc2). If unset, the default
+      release is installed. For releases 4.x and newer, the '--extra petsc'
+      option is omitted, since PETSc is bundled in the base package.
+    required: false
+    default: ''
 runs:
   using: "composite"
   steps:
@@ -42,9 +49,25 @@ runs:
         # idaes --version
     - name: Install extensions
       shell: bash -l {0}
+      env:
+        IDAES_EXT_VERSION: ${{ inputs.version }}
       run: |
+        # Build up the get-extensions arguments based on the requested release.
+        get_ext_args=()
+        major=""
+        if [ -n "$IDAES_EXT_VERSION" ]; then
+          get_ext_args+=(--release "$IDAES_EXT_VERSION")
+          # Extract the leading integer of the version (e.g. "4" from "4.0.0rc2")
+          major="${IDAES_EXT_VERSION%%.*}"
+        fi
+        # PETSc is bundled in the base package for 4.x+ releases, so only request
+        # it as an extra for older releases (or when no version is specified).
+        if [ -z "$major" ] || [ "$major" -lt 4 ]; then
+          get_ext_args+=(--extra petsc)
+        fi
+
         echo '::group::Output of "idaes get-extensions" command'
-        idaes get-extensions --extra petsc --verbose
+        idaes get-extensions "${get_ext_args[@]}" --verbose
         echo '::endgroup::'
 
         # extra dependencies must be installed on Ubuntu 24.04

.github/workflows/core.yml

@@ -123,6 +123,7 @@ jobs:
         uses: ./.github/actions/setup-idaes
         with:
           install-target: -r requirements-dev.txt
+          version: '4.0.0rc2'
       - name: Add pytest CLI options for coverage
         if: matrix.cov-report
         run: |
@@ -131,7 +132,7 @@ jobs:
         run: conda install -c conda-forge pandoc
       - name: Run pytest (not integration)
         run: |
-          pytest --pyargs idaes -m "not integration"
+          python -m pytest --cov=idaes --pyargs idaes -m "not integration"
       - name: Upload coverage report as GHA workflow artifact
         if: matrix.cov-report
         uses: actions/upload-artifact@v7
@@ -306,4 +307,4 @@ jobs:
         with:
           python-version: ${{ env.DEFAULT_PYTHON_VERSION }}
           os: linux
-          job-name: compat
+          job-name: compat

.github/workflows/integration.yml

@@ -154,6 +154,7 @@ jobs:
         uses: ./.github/actions/setup-idaes
         with:
           install-target: -r requirements-dev.txt
+          version: '4.0.0rc2'
       - name: Run pytest (integration)
         run: pytest --pyargs idaes -m integration
 
@@ -196,6 +197,7 @@ jobs:
         uses: ./.github/actions/setup-idaes
         with:
           install-target: -r requirements-dev.txt
+          version: '4.0.0rc2'
       - name: Fetch and run examples
         uses: ./.github/actions/run-examples
         with:
@@ -254,6 +256,7 @@ jobs:
         uses: ./.github/actions/setup-idaes
         with:
           install-target: ${{ matrix.pip-install-target }}
+          version: '4.0.0rc2'
       - name: Remove dependencies installable with pip but not with conda
         # NOTE some dependencies that are installed by default with pip are not available through conda
         # so they're not installed if IDAES is installed with `conda -c conda-forge idaes-pse`

docs/reference_guides/model_libraries/power_generation/unit_models/soec_design.rst

@@ -83,7 +83,7 @@ are not necessarily realistic.
       m.fs.soec.oxygen_side_outlet_temperature.fix(1023)
       m.fs.soec.water_utilization.fix(0.7)
       iscale.calculate_scaling_factors(m)
-      m.fs.soec.initialize(optarg={"max_iter":30})
+      m.fs.soec.initialize(optarg={"max_iter":30, "bound_relax_factor": 0})
       return m
 
   # create a flowsheet with the SOEC model

idaes/__init__.py

@@ -100,8 +100,27 @@ def _ensure_external_functions_libs_in_env(
 ):
     libraries_str = os.environ.get(var_name, "")
     libraries = [lib for lib in libraries_str.split(sep) if lib.strip()]
+
+    # External function libraries may live in either the old flat layout
+    # (<data>/bin) or the new install-prefix layout (<data>/lib). Search both,
+    # then fall back to a bare lookup that relies on LD_LIBRARY_PATH/PATH having
+    # already been configured by config.setup_environment().
+    search_dirs = []
+    if bin_directory is not None:
+        lib_directory = os.path.join(os.path.dirname(bin_directory), "lib")
+        if os.path.isdir(lib_directory):
+            search_dirs.append(lib_directory)
+        search_dirs.append(bin_directory)
+
     for func_name in ext_funcs:
-        lib: Optional[str] = find_library(os.path.join(bin_directory, func_name))
+        lib: Optional[str] = None
+        for d in search_dirs:
+            lib = find_library(os.path.join(d, func_name))
+            if lib is not None:
+                break
+        if lib is None:
+            # Last resort: let find_library use the configured search paths.
+            lib = find_library(func_name)
         if lib is not None and lib not in libraries:
             libraries.append(lib)
     os.environ[var_name] = sep.join(libraries)

idaes/commands/extensions.py

@@ -28,8 +28,14 @@
 import click
 
 import idaes
-from idaes.config import base_platforms, binary_distro_map, binary_arch_map
-from idaes.config import canonical_arch, canonical_distro
+from idaes.config import (
+    base_platforms,
+    binary_distro_map,
+    binary_arch_map,
+    canonical_arch,
+    canonical_distro,
+    release_major,
+)
 import idaes.commands.util.download_bin
 from idaes.commands import cb
 
@@ -47,44 +53,113 @@ def print_footer(echo=click.echo, width=65):
     echo("=" * width)
 
 
+def _get_extensions_root(bin_directory=None):
+    """
+    Return the root directory where IDAES extensions are installed.
+
+    Old layout:
+        ~/.idaes/bin/...
+    New layout:
+        ~/.idaes/{bin,lib,include,share,...}
+    """
+    if bin_directory is not None:
+        return bin_directory
+
+    # New layout
+    data_dir = idaes.data_directory
+    if any(
+        os.path.exists(os.path.join(data_dir, p))
+        for p in (
+            "lib",
+            "VERSION_SOLVERS.md",
+            "VERSION_FUNCTIONS.md",
+            "LICENSE.md",
+            "LICENSE_FUNCTIONS.md",
+        )
+    ):
+        return data_dir
+
+    # Fallback to old layout
+    return idaes.bin_directory
+
+
+def _find_extensions_file(filename, bin_directory=None):
+    """
+    Find a metadata file in either the new or old extensions layout.
+    """
+    root = _get_extensions_root(bin_directory=bin_directory)
+
+    candidates = [
+        os.path.join(root, filename),
+        os.path.join(root, "bin", filename),
+        os.path.join(idaes.bin_directory, filename),
+    ]
+
+    for path in candidates:
+        if os.path.isfile(path):
+            return path
+    return None
+
+
 def print_extensions_version(library_only=False, bin_directory=None):
     print_header("Build Versions")
-    if bin_directory is None:
-        bin_directory = idaes.bin_directory
+
     if not library_only:
-        v = os.path.join(bin_directory, "version_solvers.txt")
-        try:
-            with open(v, "r") as f:
+        solver_file = _find_extensions_file(
+            "VERSION_SOLVERS.md", bin_directory
+        ) or _find_extensions_file("version_solvers.txt", bin_directory)
+        if solver_file is not None:
+            with open(solver_file, "r") as f:
                 v = f.readline().strip()
-        except FileNotFoundError:
+        else:
             v = "no version file found"
-        click.echo("Solvers:  v{}".format(v))
-    v = os.path.join(bin_directory, "version_lib.txt")
-    try:
-        with open(v, "r") as f:
+        click.echo(f"Solvers:  {v}")
+
+    library_file = _find_extensions_file(
+        "VERSION_FUNCTIONS.md", bin_directory
+    ) or _find_extensions_file("version_lib.txt", bin_directory)
+    if library_file is not None:
+        with open(library_file, "r") as f:
             v = f.readline().strip()
-    except FileNotFoundError:
+    else:
         v = "no version file found"
-    click.echo("Library:  v{}".format(v))
+    click.echo(f"Library:  {v}")
+
     print_footer()
     return 0
 
 
 def print_license():
     print_header("License Information")
-    fpath = os.path.join(idaes.bin_directory, "license.txt")
-    try:
+
+    license_files = [
+        _find_extensions_file("LICENSE.md"),
+        _find_extensions_file("LICENSE_FUNCTIONS.md"),
+        _find_extensions_file("license.txt"),
+        _find_extensions_file("license_lib.txt"),
+    ]
+
+    printed = False
+    seen = set()
+    for fpath in license_files:
+        if fpath is None or fpath in seen:
+            continue
+        seen.add(fpath)
         with open(fpath, "r") as f:
-            for line in f.readlines():
-                click.echo(line.strip())
-    except FileNotFoundError:
+            for line in f:
+                click.echo(line.rstrip())
+        click.echo("")
+        printed = True
+
+    if not printed:
         click.echo("no license file found")
     click.echo("")
+
     print_footer()
     return 0
 
 
-def print_build_info():
+def print_build_info(release):
     fd, _ = idaes.commands.util.download_bin._get_file_downloader(False, None)
 
     print_header("Build Information")
@@ -111,7 +186,7 @@ def print_build_info():
     _, platform = idaes.commands.util.download_bin._get_arch_and_platform(fd, "auto")
     arch = machine()
     to_platform = canonical_distro(platform)
-    to_mach = canonical_arch(arch)
+    to_mach = canonical_arch(arch, release=release, platform=to_platform)
     to_build = f"{to_platform}-{to_mach}"
     has_build = to_build in base_platforms
 
@@ -179,7 +254,9 @@ def get_extensions(
     """Main sub-command."""
     cmd_name = "idaes get-extensions"
     if info:
-        print_build_info()
+        if release is None:
+            release = idaes.config.default_binary_release
+        print_build_info(release)
         return
     if url is None and release is None:
         # the default release is only used if neither a release or url is given
@@ -217,8 +294,16 @@ def get_extensions(
             for k, i in d.items():
                 click.echo(f"{k:14}: {i}")
         else:
-            # If `to` is None, we default to idaes.bin_directory.
-            print_extensions_version(library_only=library_only, bin_directory=to)
+            # With the newest release of the IDAES extensions, the files
+            # are one level up, similar to a standard install prefix
+            # structure. So we will manually set the path to save
+            # some time.
+            if release_major(release) >= 4:
+                print_extensions_version(
+                    library_only=library_only, bin_directory=idaes.data_directory
+                )
+            else:
+                print_extensions_version(library_only=library_only, bin_directory=to)
     else:
         click.echo("\n* You must provide a download URL for IDAES binary files.")
 
@@ -235,6 +320,7 @@ def hash_extensions(release, path):
     hfile = f"sha256sum_{release}.txt"
     if path is not None:
         hfile = os.path.join(path, hfile)
+    major = release_major(release)
 
     def _write_hash(fp, pack, plat):
         f = f"idaes-{pack}-{plat}.tar.gz"
@@ -249,14 +335,21 @@ def _write_hash(fp, pack, plat):
 
     with open(hfile, "w") as f:
         for plat in idaes.config.base_platforms:
-            for pack in ["solvers", "lib"]:
-                _write_hash(f, pack, plat)
-        for plat in idaes.config.base_platforms:
-            for pack, sp in idaes.config.extra_binaries.items():
-                if plat not in sp:
-                    continue
+            if major >= 4:
+                packs = ["solvers", "functions"]
+            else:
+                packs = ["solvers", "lib"]
+
+            for pack in packs:
                 _write_hash(f, pack, plat)
 
+        if major < 4:
+            for plat in idaes.config.base_platforms:
+                for pack, sp in idaes.config.extra_binaries.items():
+                    if plat not in sp:
+                        continue
+                    _write_hash(f, pack, plat)
+
 
 @cb.command(name="bin-platform", help="Show the compatible binary build.")
 @click.option("--distro", default="auto")
@@ -266,7 +359,11 @@ def bin_platform(distro):
         _, platform = idaes.commands.util.download_bin._get_arch_and_platform(
             fd, distro
         )
-        click.echo(idaes.commands.util.download_bin._get_release_platform(platform))
+        click.echo(
+            idaes.commands.util.download_bin._get_release_platform(
+                platform, idaes.config.default_binary_release
+            )
+        )
     except idaes.commands.util.download_bin.UnsupportedPlatformError:
         click.echo(
             f"No supported binaries found for {platform}. "