Allow exago to use hiop@develop past v1.0.1 (#41384)

The patch for version 5.5.x still applies to 5.6.x.

.github/workflows/build-containers.yml

@@ -57,7 +57,7 @@ jobs:
       - name: Checkout
         uses: actions/checkout@b4ffde65f46336ab88eb53be808477a3936bae11 # @v2
 
-      - uses: docker/metadata-action@96383f45573cb7f253c731d3b3ab81c87ef81934
+      - uses: docker/metadata-action@e6428a5c4e294a61438ed7f43155db912025b6b3
         id: docker_meta
         with:
           images: |

.github/workflows/style/requirements.txt

@@ -2,6 +2,6 @@ black==23.11.0
 clingo==5.6.2
 flake8==6.1.0
 isort==5.12.0
-mypy==1.6.1
+mypy==1.7.1
 types-six==1.16.21.9
 vermin==1.6.0

lib/spack/docs/build_systems/cmakepackage.rst

@@ -82,7 +82,7 @@ class already contains:
 
 .. code-block:: python
 
-   depends_on('cmake', type='build')
+   depends_on("cmake", type="build")
 
 
 If you need to specify a particular version requirement, you can
@@ -90,7 +90,7 @@ override this in your package:
 
 .. code-block:: python
 
-   depends_on('cmake@2.8.12:', type='build')
+   depends_on("cmake@2.8.12:", type="build")
 
 
 ^^^^^^^^^^^^^^^^^^^
@@ -137,10 +137,10 @@ and without the :meth:`~spack.build_systems.cmake.CMakeBuilder.define` and
 
    def cmake_args(self):
        args = [
-           '-DWHATEVER:STRING=somevalue',
-           self.define('ENABLE_BROKEN_FEATURE', False),
-           self.define_from_variant('DETECT_HDF5', 'hdf5'),
-           self.define_from_variant('THREADS'), # True if +threads
+           "-DWHATEVER:STRING=somevalue",
+           self.define("ENABLE_BROKEN_FEATURE", False),
+           self.define_from_variant("DETECT_HDF5", "hdf5"),
+           self.define_from_variant("THREADS"), # True if +threads
        ]
 
        return args
@@ -151,10 +151,10 @@ and CMake simply ignores the empty command line argument. For example the follow
 
 .. code-block:: python
 
-   variant('example', default=True, when='@2.0:')
+   variant("example", default=True, when="@2.0:")
 
    def cmake_args(self):
-      return [self.define_from_variant('EXAMPLE', 'example')]
+      return [self.define_from_variant("EXAMPLE", "example")]
 
 will generate ``'cmake' '-DEXAMPLE=ON' ...`` when `@2.0: +example` is met, but will
 result in ``'cmake' '' ...`` when the spec version is below ``2.0``.
@@ -193,9 +193,9 @@ a variant to control this:
 
 .. code-block:: python
 
-   variant('build_type', default='RelWithDebInfo',
-           description='CMake build type',
-           values=('Debug', 'Release', 'RelWithDebInfo', 'MinSizeRel'))
+   variant("build_type", default="RelWithDebInfo",
+           description="CMake build type",
+           values=("Debug", "Release", "RelWithDebInfo", "MinSizeRel"))
 
 However, not every CMake package accepts all four of these options.
 Grep the ``CMakeLists.txt`` file to see if the default values are
@@ -205,9 +205,9 @@ package overrides the default variant with:
 
 .. code-block:: python
 
-   variant('build_type', default='DebugRelease',
-           description='The build type to build',
-           values=('Debug', 'Release', 'DebugRelease'))
+   variant("build_type", default="DebugRelease",
+           description="The build type to build",
+           values=("Debug", "Release", "DebugRelease"))
 
 For more information on ``CMAKE_BUILD_TYPE``, see:
 https://cmake.org/cmake/help/latest/variable/CMAKE_BUILD_TYPE.html
@@ -250,7 +250,7 @@ generator is Ninja. To switch to the Ninja generator, simply add:
 
 .. code-block:: python
 
-   generator = 'Ninja'
+   generator = "Ninja"
 
 
 ``CMakePackage`` defaults to "Unix Makefiles". If you switch to the
@@ -258,7 +258,7 @@ Ninja generator, make sure to add:
 
 .. code-block:: python
 
-   depends_on('ninja', type='build')
+   depends_on("ninja", type="build")
 
 to the package as well. Aside from that, you shouldn't need to do
 anything else. Spack will automatically detect that you are using
@@ -288,7 +288,7 @@ like so:
 
 .. code-block:: python
 
-   root_cmakelists_dir = 'src'
+   root_cmakelists_dir = "src"
 
 
 Note that this path is relative to the root of the extracted tarball,
@@ -304,7 +304,7 @@ different sub-directory, simply override ``build_directory`` like so:
 
 .. code-block:: python
 
-   build_directory = 'my-build'
+   build_directory = "my-build"
 
 ^^^^^^^^^^^^^^^^^^^^^^^^^
 Build and install targets
@@ -324,8 +324,8 @@ library or build the documentation, you can add these like so:
 
 .. code-block:: python
 
-   build_targets = ['all', 'docs']
-   install_targets = ['install', 'docs']
+   build_targets = ["all", "docs"]
+   install_targets = ["install", "docs"]
 
 ^^^^^^^
 Testing

lib/spack/docs/build_systems/intelpackage.rst

@@ -934,9 +934,9 @@ a *virtual* ``mkl`` package is declared in Spack.
   .. code-block:: python
 
      # Examples for absolute and conditional dependencies:
-     depends_on('mkl')
-     depends_on('mkl', when='+mkl')
-     depends_on('mkl', when='fftw=mkl')
+     depends_on("mkl")
+     depends_on("mkl", when="+mkl")
+     depends_on("mkl", when="fftw=mkl")
 
   The ``MKLROOT`` environment variable (part of the documented API) will be set
   during all stages of client package installation, and is available to both
@@ -972,8 +972,8 @@ a *virtual* ``mkl`` package is declared in Spack.
       def configure_args(self):
           args = []
           ...
-          args.append('--with-blas=%s' % self.spec['blas'].libs.ld_flags)
-          args.append('--with-lapack=%s' % self.spec['lapack'].libs.ld_flags)
+          args.append("--with-blas=%s" % self.spec["blas"].libs.ld_flags)
+          args.append("--with-lapack=%s" % self.spec["lapack"].libs.ld_flags)
           ...
 
   .. tip::
@@ -989,13 +989,13 @@ a *virtual* ``mkl`` package is declared in Spack.
 
   .. code-block:: python
 
-    self.spec['blas'].headers.include_flags
+    self.spec["blas"].headers.include_flags
 
   and to generate linker options (``-L<dir> -llibname ...``), use the same as above,
 
   .. code-block:: python
 
-    self.spec['blas'].libs.ld_flags
+    self.spec["blas"].libs.ld_flags
 
   See
   :ref:`MakefilePackage <makefilepackage>`

lib/spack/docs/build_systems/luapackage.rst

@@ -88,7 +88,7 @@ override the ``luarocks_args`` method like so:
 .. code-block:: python
 
     def luarocks_args(self):
-        return ['flag1', 'flag2']
+        return ["flag1", "flag2"]
 
 One common use of this is to override warnings or flags for newer compilers, as in:
 

lib/spack/docs/build_systems/mavenpackage.rst

@@ -48,8 +48,8 @@ class automatically adds the following dependencies:
 
 .. code-block:: python
 
-   depends_on('java', type=('build', 'run'))
-   depends_on('maven', type='build')
+   depends_on("java", type=("build", "run"))
+   depends_on("maven", type="build")
 
 
 In the ``pom.xml`` file, you may see sections like:
@@ -72,8 +72,8 @@ should add:
 
 .. code-block:: python
 
-   depends_on('java@7:', type='build')
-   depends_on('maven@3.5.4:', type='build')
+   depends_on("java@7:", type="build")
+   depends_on("maven@3.5.4:", type="build")
 
 
 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
@@ -88,9 +88,9 @@ the build phase. For example:
 
    def build_args(self):
        return [
-           '-Pdist,native',
-           '-Dtar',
-           '-Dmaven.javadoc.skip=true'
+           "-Pdist,native",
+           "-Dtar",
+           "-Dmaven.javadoc.skip=true"
        ]
 
 

lib/spack/docs/build_systems/mesonpackage.rst

@@ -86,8 +86,8 @@ the ``MesonPackage`` base class already contains:
 
 .. code-block:: python
 
-   depends_on('meson', type='build')
-   depends_on('ninja', type='build')
+   depends_on("meson", type="build")
+   depends_on("ninja", type="build")
 
 
 If you need to specify a particular version requirement, you can
@@ -95,8 +95,8 @@ override this in your package:
 
 .. code-block:: python
 
-   depends_on('meson@0.43.0:', type='build')
-   depends_on('ninja', type='build')
+   depends_on("meson@0.43.0:", type="build")
+   depends_on("ninja", type="build")
 
 
 ^^^^^^^^^^^^^^^^^^^
@@ -121,7 +121,7 @@ override the ``meson_args`` method like so:
 .. code-block:: python
 
    def meson_args(self):
-       return ['--warnlevel=3']
+       return ["--warnlevel=3"]
 
 
 This method can be used to pass flags as well as variables.

lib/spack/docs/build_systems/perlpackage.rst

@@ -118,7 +118,7 @@ so ``PerlPackage`` contains:
 
 .. code-block:: python
 
-   extends('perl')
+   extends("perl")
 
 
 If your package requires a specific version of Perl, you should
@@ -132,14 +132,14 @@ properly. If your package uses ``Makefile.PL`` to build, add:
 
 .. code-block:: python
 
-   depends_on('perl-extutils-makemaker', type='build')
+   depends_on("perl-extutils-makemaker", type="build")
 
 
 If your package uses ``Build.PL`` to build, add:
 
 .. code-block:: python
 
-   depends_on('perl-module-build', type='build')
+   depends_on("perl-module-build", type="build")
 
 
 ^^^^^^^^^^^^^^^^^
@@ -165,11 +165,11 @@ arguments to ``Makefile.PL`` or ``Build.PL`` by overriding
 .. code-block:: python
 
    def configure_args(self):
-       expat = self.spec['expat'].prefix
+       expat = self.spec["expat"].prefix
 
        return [
-           'EXPATLIBPATH={0}'.format(expat.lib),
-           'EXPATINCPATH={0}'.format(expat.include),
+           "EXPATLIBPATH={0}".format(expat.lib),
+           "EXPATINCPATH={0}".format(expat.include),
        ]
 
 

lib/spack/docs/build_systems/qmakepackage.rst

@@ -83,7 +83,7 @@ base class already contains:
 
 .. code-block:: python
 
-   depends_on('qt', type='build')
+   depends_on("qt", type="build")
 
 
 If you want to specify a particular version requirement, or need to
@@ -91,7 +91,7 @@ link to the ``qt`` libraries, you can override this in your package:
 
 .. code-block:: python
 
-   depends_on('qt@5.6.0:')
+   depends_on("qt@5.6.0:")
 
 ^^^^^^^^^^^^^^^^^^^^^^^^^^
 Passing arguments to qmake
@@ -103,7 +103,7 @@ override the ``qmake_args`` method like so:
 .. code-block:: python
 
    def qmake_args(self):
-       return ['-recursive']
+       return ["-recursive"]
 
 
 This method can be used to pass flags as well as variables.
@@ -118,7 +118,7 @@ sub-directory by adding the following to the package:
 
 .. code-block:: python
 
-   build_directory = 'src'
+   build_directory = "src"
 
 
 ^^^^^^^^^^^^^^^^^^^^^^

lib/spack/docs/build_systems/rpackage.rst

@@ -163,28 +163,28 @@ attributes that can be used to set ``homepage``, ``url``, ``list_url``, and
 
 .. code-block:: python
 
-   cran = 'caret'
+   cran = "caret"
 
 is equivalent to:
 
 .. code-block:: python
 
-   homepage = 'https://cloud.r-project.org/package=caret'
-   url      = 'https://cloud.r-project.org/src/contrib/caret_6.0-86.tar.gz'
-   list_url = 'https://cloud.r-project.org/src/contrib/Archive/caret'
+   homepage = "https://cloud.r-project.org/package=caret"
+   url      = "https://cloud.r-project.org/src/contrib/caret_6.0-86.tar.gz"
+   list_url = "https://cloud.r-project.org/src/contrib/Archive/caret"
 
 Likewise, the following ``bioc`` attribute:
 
 .. code-block:: python
 
-   bioc = 'BiocVersion'
+   bioc = "BiocVersion"
 
 is equivalent to:
 
 .. code-block:: python
 
-   homepage = 'https://bioconductor.org/packages/BiocVersion/'
-   git      = 'https://git.bioconductor.org/packages/BiocVersion'
+   homepage = "https://bioconductor.org/packages/BiocVersion/"
+   git      = "https://git.bioconductor.org/packages/BiocVersion"
 
 
 ^^^^^^^^^^^^^^^^^^^^^^^^^
@@ -200,7 +200,7 @@ base class contains:
 
 .. code-block:: python
 
-   extends('r')
+   extends("r")
 
 
 Take a close look at the homepage for ``caret``. If you look at the
@@ -209,7 +209,7 @@ You should add this to your package like so:
 
 .. code-block:: python
 
-   depends_on('r@3.2.0:', type=('build', 'run'))
+   depends_on("r@3.2.0:", type=("build", "run"))
 
 
 ^^^^^^^^^^^^^^
@@ -227,7 +227,7 @@ and list all of their dependencies in the following sections:
 * LinkingTo
 
 As far as Spack is concerned, all 3 of these dependency types
-correspond to ``type=('build', 'run')``, so you don't have to worry
+correspond to ``type=("build", "run")``, so you don't have to worry
 about the details. If you are curious what they mean,
 https://github.com/spack/spack/issues/2951 has a pretty good summary:
 
@@ -330,7 +330,7 @@ the dependency:
 
 .. code-block:: python
 
-   depends_on('r-lattice@0.20:', type=('build', 'run'))
+   depends_on("r-lattice@0.20:", type=("build", "run"))
 
 
 ^^^^^^^^^^^^^^^^^^
@@ -361,20 +361,20 @@ like so:
 .. code-block:: python
 
    def configure_args(self):
-       mpi_name = self.spec['mpi'].name
+       mpi_name = self.spec["mpi"].name
 
        # The type of MPI. Supported values are:
        # OPENMPI, LAM, MPICH, MPICH2, or CRAY
-       if mpi_name == 'openmpi':
-           Rmpi_type = 'OPENMPI'
-       elif mpi_name == 'mpich':
-           Rmpi_type = 'MPICH2'
+       if mpi_name == "openmpi":
+           Rmpi_type = "OPENMPI"
+       elif mpi_name == "mpich":
+           Rmpi_type = "MPICH2"
        else:
-           raise InstallError('Unsupported MPI type')
+           raise InstallError("Unsupported MPI type")
 
        return [
-           '--with-Rmpi-type={0}'.format(Rmpi_type),
-           '--with-mpi={0}'.format(spec['mpi'].prefix),
+           "--with-Rmpi-type={0}".format(Rmpi_type),
+           "--with-mpi={0}".format(spec["mpi"].prefix),
        ]
 
 

lib/spack/docs/build_systems/rubypackage.rst

@@ -84,8 +84,8 @@ The ``*.gemspec`` file may contain something like:
 
 .. code-block:: ruby
 
-   summary = 'An implementation of the AsciiDoc text processor and publishing toolchain'
-   description = 'A fast, open source text processor and publishing toolchain for converting AsciiDoc content to HTML 5, DocBook 5, and other formats.'
+   summary = "An implementation of the AsciiDoc text processor and publishing toolchain"
+   description = "A fast, open source text processor and publishing toolchain for converting AsciiDoc content to HTML 5, DocBook 5, and other formats."
 
 
 Either of these can be used for the description of the Spack package.
@@ -98,7 +98,7 @@ The ``*.gemspec`` file may contain something like:
 
 .. code-block:: ruby
 
-   homepage = 'https://asciidoctor.org'
+   homepage = "https://asciidoctor.org"
 
 
 This should be used as the official homepage of the Spack package.
@@ -112,21 +112,21 @@ the base class contains:
 
 .. code-block:: python
 
-   extends('ruby')
+   extends("ruby")
 
 
 The ``*.gemspec`` file may contain something like:
 
 .. code-block:: ruby
 
-   required_ruby_version = '>= 2.3.0'
+   required_ruby_version = ">= 2.3.0"
 
 
 This can be added to the Spack package using:
 
 .. code-block:: python
 
-   depends_on('ruby@2.3.0:', type=('build', 'run'))
+   depends_on("ruby@2.3.0:", type=("build", "run"))
 
 
 ^^^^^^^^^^^^^^^^^

lib/spack/docs/build_systems/sippackage.rst

@@ -124,7 +124,7 @@ are wrong, you can provide the names yourself by overriding
 
 .. code-block:: python
 
-   import_modules = ['PyQt5']
+   import_modules = ["PyQt5"]
 
 
 These tests often catch missing dependencies and non-RPATHed

lib/spack/docs/build_systems/wafpackage.rst

@@ -63,8 +63,8 @@ run package-specific unit tests.
 .. code-block:: python
 
    def installtest(self):
-       with working_dir('test'):
-           pytest = which('py.test')
+       with working_dir("test"):
+           pytest = which("py.test")
            pytest()
 
 
@@ -93,7 +93,7 @@ the following dependency automatically:
 
 .. code-block:: python
 
-   depends_on('python@2.5:', type='build')
+   depends_on("python@2.5:", type="build")
 
 
 Waf only supports Python 2.5 and up.
@@ -113,7 +113,7 @@ phase, you can use:
        args = []
 
        if self.run_tests:
-           args.append('--test')
+           args.append("--test")
 
        return args
 

lib/spack/docs/requirements.txt

@@ -1,13 +1,13 @@
 sphinx==7.2.6
 sphinxcontrib-programoutput==0.17
 sphinx_design==0.5.0
-sphinx-rtd-theme==1.3.0
+sphinx-rtd-theme==2.0.0
 python-levenshtein==0.23.0
-docutils==0.18.1
-pygments==2.17.1
+docutils==0.20.1
+pygments==2.17.2
 urllib3==2.1.0
 pytest==7.4.3
 isort==5.12.0
 black==23.11.0
 flake8==6.1.0
-mypy==1.7.0
+mypy==1.7.1

lib/spack/spack/binary_distribution.py

@@ -230,7 +230,11 @@ def _associate_built_specs_with_mirror(self, cache_key, mirror_url):
                 )
                 return
 
-            spec_list = db.query_local(installed=False, in_buildcache=True)
+            spec_list = [
+                s
+                for s in db.query_local(installed=any, in_buildcache=any)
+                if s.external or db.query_local_by_spec_hash(s.dag_hash()).in_buildcache
+            ]
 
             for indexed_spec in spec_list:
                 dag_hash = indexed_spec.dag_hash()

lib/spack/spack/cmd/add.py

@@ -6,7 +6,7 @@
 import llnl.util.tty as tty
 
 import spack.cmd
-import spack.cmd.common.arguments as arguments
+from spack.cmd.common import arguments
 
 description = "add a spec to an environment"
 section = "environments"

lib/spack/spack/cmd/bootstrap.py

@@ -15,13 +15,13 @@
 import spack.bootstrap
 import spack.bootstrap.config
 import spack.bootstrap.core
-import spack.cmd.common.arguments
 import spack.config
 import spack.main
 import spack.mirror
 import spack.spec
 import spack.stage
 import spack.util.path
+from spack.cmd.common import arguments
 
 description = "manage bootstrap configuration"
 section = "system"
@@ -68,12 +68,8 @@
 
 
 def _add_scope_option(parser):
-    scopes = spack.config.scopes()
     parser.add_argument(
-        "--scope",
-        choices=scopes,
-        metavar=spack.config.SCOPES_METAVAR,
-        help="configuration scope to read/modify",
+        "--scope", action=arguments.ConfigScope, help="configuration scope to read/modify"
     )
 
 
@@ -106,7 +102,7 @@ def setup_parser(subparser):
     disable.add_argument("name", help="name of the source to be disabled", nargs="?", default=None)
 
     reset = sp.add_parser("reset", help="reset bootstrapping configuration to Spack defaults")
-    spack.cmd.common.arguments.add_common_arguments(reset, ["yes_to_all"])
+    arguments.add_common_arguments(reset, ["yes_to_all"])
 
     root = sp.add_parser("root", help="get/set the root bootstrap directory")
     _add_scope_option(root)

lib/spack/spack/cmd/buildcache.py

@@ -21,7 +21,6 @@
 
 import spack.binary_distribution as bindist
 import spack.cmd
-import spack.cmd.common.arguments as arguments
 import spack.config
 import spack.environment as ev
 import spack.error
@@ -40,6 +39,7 @@
 import spack.util.web as web_util
 from spack.build_environment import determine_number_of_jobs
 from spack.cmd import display_specs
+from spack.cmd.common import arguments
 from spack.oci.image import (
     Digest,
     ImageReference,
@@ -182,13 +182,10 @@ def setup_parser(subparser: argparse.ArgumentParser):
     )
 
     # used to construct scope arguments below
-    scopes = spack.config.scopes()
-
     check.add_argument(
         "--scope",
-        choices=scopes,
-        metavar=spack.config.SCOPES_METAVAR,
-        default=spack.config.default_modify_scope(),
+        action=arguments.ConfigScope,
+        default=lambda: spack.config.default_modify_scope(),
         help="configuration scope containing mirrors to check",
     )
     check_spec_or_specfile = check.add_mutually_exclusive_group(required=True)

lib/spack/spack/cmd/change.py

@@ -4,7 +4,7 @@
 # SPDX-License-Identifier: (Apache-2.0 OR MIT)
 
 import spack.cmd
-import spack.cmd.common.arguments as arguments
+from spack.cmd.common import arguments
 
 description = "change an existing spec in an environment"
 section = "environments"

lib/spack/spack/cmd/clean.py

@@ -12,13 +12,13 @@
 
 import spack.bootstrap
 import spack.caches
-import spack.cmd.common.arguments as arguments
 import spack.cmd.test
 import spack.config
 import spack.repo
 import spack.stage
 import spack.store
 import spack.util.path
+from spack.cmd.common import arguments
 from spack.paths import lib_path, var_path
 
 description = "remove temporary build files and/or downloaded archives"

lib/spack/spack/cmd/common/arguments.py

@@ -124,6 +124,33 @@ def __call__(self, parser, namespace, values, option_string=None):
         setattr(namespace, self.dest, deptype)
 
 
+class ConfigScope(argparse.Action):
+    """Pick the currently configured config scopes."""
+
+    def __init__(self, *args, **kwargs) -> None:
+        kwargs.setdefault("metavar", spack.config.SCOPES_METAVAR)
+        super().__init__(*args, **kwargs)
+
+    @property
+    def default(self):
+        return self._default() if callable(self._default) else self._default
+
+    @default.setter
+    def default(self, value):
+        self._default = value
+
+    @property
+    def choices(self):
+        return spack.config.scopes().keys()
+
+    @choices.setter
+    def choices(self, value):
+        pass
+
+    def __call__(self, parser, namespace, values, option_string=None):
+        setattr(namespace, self.dest, values)
+
+
 def _cdash_reporter(namespace):
     """Helper function to create a CDash reporter. This function gets an early reference to the
     argparse namespace under construction, so it can later use it to create the object.

lib/spack/spack/cmd/common/env_utility.py

@@ -8,13 +8,13 @@
 import llnl.util.tty as tty
 
 import spack.cmd
-import spack.cmd.common.arguments as arguments
 import spack.deptypes as dt
 import spack.error
 import spack.paths
 import spack.spec
 import spack.store
 from spack import build_environment, traverse
+from spack.cmd.common import arguments
 from spack.context import Context
 from spack.util.environment import dump_environment, pickle_environment
 

lib/spack/spack/cmd/compiler.py

@@ -14,6 +14,7 @@
 import spack.compilers
 import spack.config
 import spack.spec
+from spack.cmd.common import arguments
 
 description = "manage compilers"
 section = "system"
@@ -23,8 +24,6 @@
 def setup_parser(subparser):
     sp = subparser.add_subparsers(metavar="SUBCOMMAND", dest="compiler_command")
 
-    scopes = spack.config.scopes()
-
     # Find
     find_parser = sp.add_parser(
         "find",
@@ -47,9 +46,8 @@ def setup_parser(subparser):
     find_parser.add_argument("add_paths", nargs=argparse.REMAINDER)
     find_parser.add_argument(
         "--scope",
-        choices=scopes,
-        metavar=spack.config.SCOPES_METAVAR,
-        default=spack.config.default_modify_scope("compilers"),
+        action=arguments.ConfigScope,
+        default=lambda: spack.config.default_modify_scope("compilers"),
         help="configuration scope to modify",
     )
 
@@ -60,20 +58,15 @@ def setup_parser(subparser):
     )
     remove_parser.add_argument("compiler_spec")
     remove_parser.add_argument(
-        "--scope",
-        choices=scopes,
-        metavar=spack.config.SCOPES_METAVAR,
-        default=None,
-        help="configuration scope to modify",
+        "--scope", action=arguments.ConfigScope, default=None, help="configuration scope to modify"
     )
 
     # List
     list_parser = sp.add_parser("list", help="list available compilers")
     list_parser.add_argument(
         "--scope",
-        choices=scopes,
-        metavar=spack.config.SCOPES_METAVAR,
-        default=spack.config.default_list_scope(),
+        action=arguments.ConfigScope,
+        default=lambda: spack.config.default_list_scope(),
         help="configuration scope to read from",
     )
 
@@ -82,9 +75,8 @@ def setup_parser(subparser):
     info_parser.add_argument("compiler_spec")
     info_parser.add_argument(
         "--scope",
-        choices=scopes,
-        metavar=spack.config.SCOPES_METAVAR,
-        default=spack.config.default_list_scope(),
+        action=arguments.ConfigScope,
+        default=lambda: spack.config.default_list_scope(),
         help="configuration scope to read from",
     )
 

lib/spack/spack/cmd/compilers.py

@@ -3,7 +3,7 @@
 #
 # SPDX-License-Identifier: (Apache-2.0 OR MIT)
 
-import spack.config
+from spack.cmd.common import arguments
 from spack.cmd.compiler import compiler_list
 
 description = "list available compilers"
@@ -12,13 +12,8 @@
 
 
 def setup_parser(subparser):
-    scopes = spack.config.scopes()
-
     subparser.add_argument(
-        "--scope",
-        choices=scopes,
-        metavar=spack.config.SCOPES_METAVAR,
-        help="configuration scope to read/modify",
+        "--scope", action=arguments.ConfigScope, help="configuration scope to read/modify"
     )
 
 

lib/spack/spack/cmd/config.py

@@ -10,7 +10,6 @@
 import llnl.util.filesystem as fs
 import llnl.util.tty as tty
 
-import spack.cmd.common.arguments
 import spack.config
 import spack.environment as ev
 import spack.repo
@@ -18,6 +17,7 @@
 import spack.schema.packages
 import spack.store
 import spack.util.spack_yaml as syaml
+from spack.cmd.common import arguments
 from spack.util.editor import editor
 
 description = "get and set configuration options"
@@ -26,14 +26,9 @@
 
 
 def setup_parser(subparser):
-    scopes = spack.config.scopes()
-
     # User can only choose one
     subparser.add_argument(
-        "--scope",
-        choices=scopes,
-        metavar=spack.config.SCOPES_METAVAR,
-        help="configuration scope to read/modify",
+        "--scope", action=arguments.ConfigScope, help="configuration scope to read/modify"
     )
 
     sp = subparser.add_subparsers(metavar="SUBCOMMAND", dest="config_command")
@@ -101,13 +96,13 @@ def setup_parser(subparser):
     setup_parser.add_parser = add_parser
 
     update = sp.add_parser("update", help="update configuration files to the latest format")
-    spack.cmd.common.arguments.add_common_arguments(update, ["yes_to_all"])
+    arguments.add_common_arguments(update, ["yes_to_all"])
     update.add_argument("section", help="section to update")
 
     revert = sp.add_parser(
         "revert", help="revert configuration files to their state before update"
     )
-    spack.cmd.common.arguments.add_common_arguments(revert, ["yes_to_all"])
+    arguments.add_common_arguments(revert, ["yes_to_all"])
     revert.add_argument("section", help="section to update")
 
 

lib/spack/spack/cmd/deconcretize.py

@@ -10,10 +10,10 @@
 import llnl.util.tty as tty
 
 import spack.cmd
-import spack.cmd.common.arguments as arguments
 import spack.cmd.common.confirmation as confirmation
 import spack.environment as ev
 import spack.spec
+from spack.cmd.common import arguments
 
 description = "remove specs from the concretized lockfile of an environment"
 section = "environments"

lib/spack/spack/cmd/dependencies.py

@@ -9,11 +9,11 @@
 from llnl.util.tty.colify import colify
 
 import spack.cmd
-import spack.cmd.common.arguments as arguments
 import spack.environment as ev
 import spack.package_base
 import spack.repo
 import spack.store
+from spack.cmd.common import arguments
 
 description = "show dependencies of a package"
 section = "basic"

lib/spack/spack/cmd/dependents.py

@@ -9,10 +9,10 @@
 from llnl.util.tty.colify import colify
 
 import spack.cmd
-import spack.cmd.common.arguments as arguments
 import spack.environment as ev
 import spack.repo
 import spack.store
+from spack.cmd.common import arguments
 
 description = "show packages that depend on another"
 section = "basic"

lib/spack/spack/cmd/deprecate.py

@@ -20,9 +20,9 @@
 from llnl.util.symlink import symlink
 
 import spack.cmd
-import spack.cmd.common.arguments as arguments
 import spack.environment as ev
 import spack.store
+from spack.cmd.common import arguments
 from spack.database import InstallStatuses
 from spack.error import SpackError
 

lib/spack/spack/cmd/dev_build.py

@@ -9,9 +9,9 @@
 import llnl.util.tty as tty
 
 import spack.cmd
-import spack.cmd.common.arguments as arguments
 import spack.config
 import spack.repo
+from spack.cmd.common import arguments
 
 description = "developer build: build from code in current working directory"
 section = "build"

lib/spack/spack/cmd/develop.py

@@ -8,10 +8,10 @@
 import llnl.util.tty as tty
 
 import spack.cmd
-import spack.cmd.common.arguments as arguments
 import spack.spec
 import spack.util.path
 import spack.version
+from spack.cmd.common import arguments
 from spack.error import SpackError
 
 description = "add a spec to an environment's dev-build information"

lib/spack/spack/cmd/diff.py

@@ -10,11 +10,11 @@
 from llnl.util.tty.color import cprint, get_color_when
 
 import spack.cmd
-import spack.cmd.common.arguments as arguments
 import spack.environment as ev
 import spack.solver.asp as asp
 import spack.util.environment
 import spack.util.spack_json as sjson
+from spack.cmd.common import arguments
 
 description = "compare two specs"
 section = "basic"

lib/spack/spack/cmd/env.py

@@ -20,7 +20,6 @@
 import spack.cmd
 import spack.cmd.common
 import spack.cmd.common.arguments
-import spack.cmd.common.arguments as arguments
 import spack.cmd.install
 import spack.cmd.modules
 import spack.cmd.uninstall
@@ -31,6 +30,7 @@
 import spack.schema.env
 import spack.spec
 import spack.tengine
+from spack.cmd.common import arguments
 from spack.util.environment import EnvironmentModifications
 
 description = "manage virtual environments"

lib/spack/spack/cmd/extensions.py

@@ -10,10 +10,10 @@
 from llnl.util.tty.colify import colify
 
 import spack.cmd as cmd
-import spack.cmd.common.arguments as arguments
 import spack.environment as ev
 import spack.repo
 import spack.store
+from spack.cmd.common import arguments
 
 description = "list extensions for package"
 section = "extensions"

lib/spack/spack/cmd/external.py

@@ -14,12 +14,12 @@
 
 import spack
 import spack.cmd
-import spack.cmd.common.arguments
 import spack.config
 import spack.cray_manifest as cray_manifest
 import spack.detection
 import spack.error
 import spack.util.environment
+from spack.cmd.common import arguments
 
 description = "manage external packages in Spack configuration"
 section = "config"
@@ -29,8 +29,6 @@
 def setup_parser(subparser):
     sp = subparser.add_subparsers(metavar="SUBCOMMAND", dest="external_command")
 
-    scopes = spack.config.scopes()
-
     find_parser = sp.add_parser("find", help="add external packages to packages.yaml")
     find_parser.add_argument(
         "--not-buildable",
@@ -48,15 +46,14 @@ def setup_parser(subparser):
     )
     find_parser.add_argument(
         "--scope",
-        choices=scopes,
-        metavar=spack.config.SCOPES_METAVAR,
-        default=spack.config.default_modify_scope("packages"),
+        action=arguments.ConfigScope,
+        default=lambda: spack.config.default_modify_scope("packages"),
         help="configuration scope to modify",
     )
     find_parser.add_argument(
         "--all", action="store_true", help="search for all packages that Spack knows about"
     )
-    spack.cmd.common.arguments.add_common_arguments(find_parser, ["tags", "jobs"])
+    arguments.add_common_arguments(find_parser, ["tags", "jobs"])
     find_parser.add_argument("packages", nargs=argparse.REMAINDER)
     find_parser.epilog = (
         'The search is by default on packages tagged with the "build-tools" or '

lib/spack/spack/cmd/fetch.py

@@ -6,11 +6,11 @@
 import llnl.util.tty as tty
 
 import spack.cmd
-import spack.cmd.common.arguments as arguments
 import spack.config
 import spack.environment as ev
 import spack.repo
 import spack.traverse
+from spack.cmd.common import arguments
 
 description = "fetch archives for packages"
 section = "build"

lib/spack/spack/cmd/find.py

@@ -12,9 +12,9 @@
 
 import spack.bootstrap
 import spack.cmd as cmd
-import spack.cmd.common.arguments as arguments
 import spack.environment as ev
 import spack.repo
+from spack.cmd.common import arguments
 from spack.database import InstallStatuses
 
 description = "list and search installed packages"

lib/spack/spack/cmd/gpg.py

@@ -7,11 +7,11 @@
 import os
 
 import spack.binary_distribution
-import spack.cmd.common.arguments as arguments
 import spack.mirror
 import spack.paths
 import spack.util.gpg
 import spack.util.url
+from spack.cmd.common import arguments
 
 description = "handle GPG actions for spack"
 section = "packaging"

lib/spack/spack/cmd/graph.py

@@ -5,10 +5,10 @@
 from llnl.util import tty
 
 import spack.cmd
-import spack.cmd.common.arguments as arguments
 import spack.config
 import spack.environment as ev
 import spack.store
+from spack.cmd.common import arguments
 from spack.graph import DAGWithDependencyTypes, SimpleDAG, graph_ascii, graph_dot, static_graph_dot
 
 description = "generate graphs of package dependency relationships"

lib/spack/spack/cmd/info.py

@@ -11,13 +11,13 @@
 import llnl.util.tty.color as color
 from llnl.util.tty.colify import colify
 
-import spack.cmd.common.arguments as arguments
 import spack.deptypes as dt
 import spack.fetch_strategy as fs
 import spack.install_test
 import spack.repo
 import spack.spec
 import spack.version
+from spack.cmd.common import arguments
 from spack.package_base import preferred_version
 
 description = "get detailed information on a particular package"

lib/spack/spack/cmd/install.py

@@ -14,7 +14,6 @@
 
 import spack.build_environment
 import spack.cmd
-import spack.cmd.common.arguments as arguments
 import spack.config
 import spack.environment as ev
 import spack.fetch_strategy
@@ -23,6 +22,7 @@
 import spack.report
 import spack.spec
 import spack.store
+from spack.cmd.common import arguments
 from spack.error import SpackError
 from spack.installer import PackageInstaller
 

lib/spack/spack/cmd/list.py

@@ -15,9 +15,9 @@
 import llnl.util.tty as tty
 from llnl.util.tty.colify import colify
 
-import spack.cmd.common.arguments as arguments
 import spack.deptypes as dt
 import spack.repo
+from spack.cmd.common import arguments
 from spack.version import VersionList
 
 description = "list and search available packages"

lib/spack/spack/cmd/load.py

@@ -8,12 +8,12 @@
 import llnl.util.tty as tty
 
 import spack.cmd
-import spack.cmd.common.arguments as arguments
 import spack.cmd.find
 import spack.environment as ev
 import spack.store
 import spack.user_environment as uenv
 import spack.util.environment
+from spack.cmd.common import arguments
 
 description = "add package to the user environment"
 section = "user environment"

lib/spack/spack/cmd/location.py

@@ -9,11 +9,11 @@
 
 import spack.builder
 import spack.cmd
-import spack.cmd.common.arguments as arguments
 import spack.environment as ev
 import spack.paths
 import spack.repo
 import spack.stage
+from spack.cmd.common import arguments
 
 description = "print out locations of packages and spack directories"
 section = "basic"

lib/spack/spack/cmd/mark.py

@@ -8,11 +8,11 @@
 from llnl.util import tty
 
 import spack.cmd
-import spack.cmd.common.arguments as arguments
 import spack.error
 import spack.package_base
 import spack.repo
 import spack.store
+from spack.cmd.common import arguments
 from spack.database import InstallStatuses
 
 description = "mark packages as explicitly or implicitly installed"

lib/spack/spack/cmd/mirror.py

@@ -11,7 +11,6 @@
 
 import spack.caches
 import spack.cmd
-import spack.cmd.common.arguments as arguments
 import spack.concretize
 import spack.config
 import spack.environment as ev
@@ -20,6 +19,7 @@
 import spack.spec
 import spack.util.path
 import spack.util.web as web_util
+from spack.cmd.common import arguments
 from spack.error import SpackError
 
 description = "manage mirrors (source and binary)"
@@ -88,18 +88,14 @@ def setup_parser(subparser):
         "--mirror-url", metavar="mirror_url", type=str, help="find mirror to destroy by url"
     )
 
-    # used to construct scope arguments below
-    scopes = spack.config.scopes()
-
     # Add
     add_parser = sp.add_parser("add", help=mirror_add.__doc__)
     add_parser.add_argument("name", help="mnemonic name for mirror", metavar="mirror")
     add_parser.add_argument("url", help="url of mirror directory from 'spack mirror create'")
     add_parser.add_argument(
         "--scope",
-        choices=scopes,
-        metavar=spack.config.SCOPES_METAVAR,
-        default=spack.config.default_modify_scope(),
+        action=arguments.ConfigScope,
+        default=lambda: spack.config.default_modify_scope(),
         help="configuration scope to modify",
     )
     add_parser.add_argument(
@@ -117,9 +113,8 @@ def setup_parser(subparser):
     remove_parser.add_argument("name", help="mnemonic name for mirror", metavar="mirror")
     remove_parser.add_argument(
         "--scope",
-        choices=scopes,
-        metavar=spack.config.SCOPES_METAVAR,
-        default=spack.config.default_modify_scope(),
+        action=arguments.ConfigScope,
+        default=lambda: spack.config.default_modify_scope(),
         help="configuration scope to modify",
     )
 
@@ -136,9 +131,8 @@ def setup_parser(subparser):
     )
     set_url_parser.add_argument(
         "--scope",
-        choices=scopes,
-        metavar=spack.config.SCOPES_METAVAR,
-        default=spack.config.default_modify_scope(),
+        action=arguments.ConfigScope,
+        default=lambda: spack.config.default_modify_scope(),
         help="configuration scope to modify",
     )
     arguments.add_connection_args(set_url_parser, False)
@@ -165,9 +159,8 @@ def setup_parser(subparser):
     set_parser.add_argument("--url", help="url of mirror directory from 'spack mirror create'")
     set_parser.add_argument(
         "--scope",
-        choices=scopes,
-        metavar=spack.config.SCOPES_METAVAR,
-        default=spack.config.default_modify_scope(),
+        action=arguments.ConfigScope,
+        default=lambda: spack.config.default_modify_scope(),
         help="configuration scope to modify",
     )
     arguments.add_connection_args(set_parser, False)
@@ -176,9 +169,8 @@ def setup_parser(subparser):
     list_parser = sp.add_parser("list", help=mirror_list.__doc__)
     list_parser.add_argument(
         "--scope",
-        choices=scopes,
-        metavar=spack.config.SCOPES_METAVAR,
-        default=spack.config.default_list_scope(),
+        action=arguments.ConfigScope,
+        default=lambda: spack.config.default_list_scope(),
         help="configuration scope to read from",
     )
 

lib/spack/spack/cmd/modules/__init__.py

@@ -14,11 +14,11 @@
 from llnl.util.tty import color
 
 import spack.cmd
-import spack.cmd.common.arguments as arguments
 import spack.config
 import spack.modules
 import spack.modules.common
 import spack.repo
+from spack.cmd.common import arguments
 
 description = "manipulate module files"
 section = "environment"

lib/spack/spack/cmd/patch.py

@@ -6,12 +6,12 @@
 import llnl.util.tty as tty
 
 import spack.cmd
-import spack.cmd.common.arguments as arguments
 import spack.config
 import spack.environment as ev
 import spack.package_base
 import spack.repo
 import spack.traverse
+from spack.cmd.common import arguments
 
 description = "patch expanded archive sources in preparation for install"
 section = "build"

lib/spack/spack/cmd/pkg.py

@@ -12,11 +12,11 @@
 from llnl.util.tty.colify import colify
 
 import spack.cmd
-import spack.cmd.common.arguments as arguments
 import spack.paths
 import spack.repo
 import spack.util.executable as exe
 import spack.util.package_hash as ph
+from spack.cmd.common import arguments
 
 description = "query packages associated with particular git revisions"
 section = "developer"

lib/spack/spack/cmd/remove.py

@@ -6,7 +6,7 @@
 import llnl.util.tty as tty
 
 import spack.cmd
-import spack.cmd.common.arguments as arguments
+from spack.cmd.common import arguments
 
 description = "remove specs from an environment"
 section = "environments"

lib/spack/spack/cmd/repo.py

@@ -11,6 +11,7 @@
 import spack.config
 import spack.repo
 import spack.util.path
+from spack.cmd.common import arguments
 
 description = "manage package source repositories"
 section = "config"
@@ -19,7 +20,6 @@
 
 def setup_parser(subparser):
     sp = subparser.add_subparsers(metavar="SUBCOMMAND", dest="repo_command")
-    scopes = spack.config.scopes()
 
     # Create
     create_parser = sp.add_parser("create", help=repo_create.__doc__)
@@ -43,9 +43,8 @@ def setup_parser(subparser):
     list_parser = sp.add_parser("list", help=repo_list.__doc__)
     list_parser.add_argument(
         "--scope",
-        choices=scopes,
-        metavar=spack.config.SCOPES_METAVAR,
-        default=spack.config.default_list_scope(),
+        action=arguments.ConfigScope,
+        default=lambda: spack.config.default_list_scope(),
         help="configuration scope to read from",
     )
 
@@ -54,9 +53,8 @@ def setup_parser(subparser):
     add_parser.add_argument("path", help="path to a Spack package repository directory")
     add_parser.add_argument(
         "--scope",
-        choices=scopes,
-        metavar=spack.config.SCOPES_METAVAR,
-        default=spack.config.default_modify_scope(),
+        action=arguments.ConfigScope,
+        default=lambda: spack.config.default_modify_scope(),
         help="configuration scope to modify",
     )
 
@@ -67,9 +65,8 @@ def setup_parser(subparser):
     )
     remove_parser.add_argument(
         "--scope",
-        choices=scopes,
-        metavar=spack.config.SCOPES_METAVAR,
-        default=spack.config.default_modify_scope(),
+        action=arguments.ConfigScope,
+        default=lambda: spack.config.default_modify_scope(),
         help="configuration scope to modify",
     )
 

lib/spack/spack/cmd/restage.py

@@ -6,8 +6,8 @@
 import llnl.util.tty as tty
 
 import spack.cmd
-import spack.cmd.common.arguments as arguments
 import spack.repo
+from spack.cmd.common import arguments
 
 description = "revert checked out package source code"
 section = "build"

lib/spack/spack/cmd/solve.py

@@ -12,12 +12,12 @@
 
 import spack
 import spack.cmd
-import spack.cmd.common.arguments as arguments
 import spack.config
 import spack.environment
 import spack.hash_types as ht
 import spack.package_base
 import spack.solver.asp as asp
+from spack.cmd.common import arguments
 
 description = "concretize a specs using an ASP solver"
 section = "developer"

lib/spack/spack/cmd/spec.py

@@ -10,11 +10,11 @@
 
 import spack
 import spack.cmd
-import spack.cmd.common.arguments as arguments
 import spack.environment as ev
 import spack.hash_types as ht
 import spack.spec
 import spack.store
+from spack.cmd.common import arguments
 
 description = "show what would be installed, given a spec"
 section = "build"

lib/spack/spack/cmd/stage.py

@@ -8,13 +8,13 @@
 import llnl.util.tty as tty
 
 import spack.cmd
-import spack.cmd.common.arguments as arguments
 import spack.config
 import spack.environment as ev
 import spack.package_base
 import spack.repo
 import spack.stage
 import spack.traverse
+from spack.cmd.common import arguments
 
 description = "expand downloaded archive in preparation for install"
 section = "build"

lib/spack/spack/cmd/test.py

@@ -15,12 +15,12 @@
 from llnl.util.tty import colify
 
 import spack.cmd
-import spack.cmd.common.arguments as arguments
 import spack.environment as ev
 import spack.install_test
 import spack.package_base
 import spack.repo
 import spack.report
+from spack.cmd.common import arguments
 
 description = "run spack's tests for an install"
 section = "admin"

lib/spack/spack/cmd/tutorial.py

@@ -10,11 +10,11 @@
 from llnl.util.filesystem import working_dir
 
 import spack
-import spack.cmd.common.arguments as arguments
 import spack.config
 import spack.paths
 import spack.util.git
 import spack.util.gpg
+from spack.cmd.common import arguments
 from spack.util.spack_yaml import syaml_dict
 
 description = "set up spack for our tutorial (WARNING: modifies config!)"

lib/spack/spack/cmd/undevelop.py

@@ -6,7 +6,7 @@
 import llnl.util.tty as tty
 
 import spack.cmd
-import spack.cmd.common.arguments as arguments
+from spack.cmd.common import arguments
 
 description = "remove specs from an environment"
 section = "environments"

lib/spack/spack/cmd/uninstall.py

@@ -10,13 +10,13 @@
 from llnl.util.tty.colify import colify
 
 import spack.cmd
-import spack.cmd.common.arguments as arguments
 import spack.cmd.common.confirmation as confirmation
 import spack.environment as ev
 import spack.package_base
 import spack.spec
 import spack.store
 import spack.traverse as traverse
+from spack.cmd.common import arguments
 from spack.database import InstallStatuses
 
 description = "remove installed packages"

lib/spack/spack/cmd/unload.py

@@ -7,10 +7,10 @@
 import sys
 
 import spack.cmd
-import spack.cmd.common.arguments as arguments
 import spack.error
 import spack.user_environment as uenv
 import spack.util.environment
+from spack.cmd.common import arguments
 
 description = "remove package from the user environment"
 section = "user environment"

lib/spack/spack/cmd/versions.py

@@ -8,9 +8,9 @@
 import llnl.util.tty as tty
 from llnl.util.tty.colify import colify
 
-import spack.cmd.common.arguments as arguments
 import spack.repo
 import spack.spec
+from spack.cmd.common import arguments
 from spack.version import infinity_versions, ver
 
 description = "list available versions of a package"

lib/spack/spack/parser.py

@@ -206,11 +206,15 @@ def tokenize(text: str) -> Iterator[Token]:
     scanner = ALL_TOKENS.scanner(text)  # type: ignore[attr-defined]
     match: Optional[Match] = None
     for match in iter(scanner.match, None):
+        # The following two assertions are to help mypy
+        msg = (
+            "unexpected value encountered during parsing. Please submit a bug report "
+            "at https://github.com/spack/spack/issues/new/choose"
+        )
+        assert match is not None, msg
+        assert match.lastgroup is not None, msg
         yield Token(
-            TokenType.__members__[match.lastgroup],  # type: ignore[attr-defined]
-            match.group(),  # type: ignore[attr-defined]
-            match.start(),  # type: ignore[attr-defined]
-            match.end(),  # type: ignore[attr-defined]
+            TokenType.__members__[match.lastgroup], match.group(), match.start(), match.end()
         )
 
     if match is None and not text:

lib/spack/spack/solver/asp.py

@@ -3134,6 +3134,25 @@ def _develop_specs_from_env(spec, env):
     spec.constrain(dev_info["spec"])
 
 
+def _is_reusable_external(packages, spec: spack.spec.Spec) -> bool:
+    """Returns true iff spec is an external that can be reused.
+
+    Arguments:
+        packages: the packages configuration
+        spec: the spec to check
+    """
+    for name in {spec.name, *(p.name for p in spec.package.provided)}:
+        for entry in packages.get(name, {}).get("externals", []):
+            if (
+                spec.satisfies(entry["spec"])
+                and spec.external_path == entry.get("prefix")
+                and spec.external_modules == entry.get("modules")
+            ):
+                return True
+
+    return False
+
+
 class Solver:
     """This is the main external interface class for solving.
 
@@ -3181,8 +3200,18 @@ def _reusable_specs(self, specs):
 
             # Specs from buildcaches
             try:
-                index = spack.binary_distribution.update_cache_and_get_specs()
-                reusable_specs.extend(index)
+                # Specs in a build cache that depend on externals are reusable as long as local
+                # config has matching externals. This should guard against picking up binaries
+                # linked against externals not available locally, while still supporting the use
+                # case of distributing binaries across machines with similar externals.
+                packages = spack.config.get("packages")
+                reusable_specs.extend(
+                    [
+                        s
+                        for s in spack.binary_distribution.update_cache_and_get_specs()
+                        if not s.external or _is_reusable_external(packages, s)
+                    ]
+                )
             except (spack.binary_distribution.FetchCacheError, IndexError):
                 # this is raised when no mirrors had indices.
                 # TODO: update mirror configuration so it can indicate that the

lib/spack/spack/solver/concretize.lp

@@ -20,7 +20,7 @@
 % Integrity constraints on DAG nodes
 :- attr("root", PackageNode), not attr("node", PackageNode).
 :- attr("version", PackageNode, _), not attr("node", PackageNode), not attr("virtual_node", PackageNode).
-:- attr("node_version_satisfies", PackageNode), not attr("node", PackageNode).
+:- attr("node_version_satisfies", PackageNode, _), not attr("node", PackageNode), not attr("virtual_node", PackageNode).
 :- attr("hash", PackageNode, _), not attr("node", PackageNode).
 :- attr("node_platform", PackageNode, _), not attr("node", PackageNode).
 :- attr("node_os", PackageNode, _), not attr("node", PackageNode).

lib/spack/spack/test/cmd/env.py

@@ -3540,7 +3540,7 @@ def test_environment_created_in_users_location(mutable_mock_env_path, tmp_path):
     assert os.path.isdir(os.path.join(env_dir, dir_name))
 
 
-def test_environment_created_from_lockfile_has_view(mock_packages, tmpdir):
+def test_environment_created_from_lockfile_has_view(mock_packages, temporary_store, tmpdir):
     """When an env is created from a lockfile, a view should be generated for it"""
     env_a = str(tmpdir.join("a"))
     env_b = str(tmpdir.join("b"))

lib/spack/spack/test/concretize.py

@@ -203,7 +203,9 @@ def change(self, changes=None):
                 # TODO: in case tests using this fixture start failing.
                 if sys.modules.get("spack.pkg.changing.changing"):
                     del sys.modules["spack.pkg.changing.changing"]
+                if sys.modules.get("spack.pkg.changing.root"):
                     del sys.modules["spack.pkg.changing.root"]
+                if sys.modules.get("spack.pkg.changing"):
                     del sys.modules["spack.pkg.changing"]
 
                 # Change the recipe
@@ -1604,7 +1606,9 @@ def test_installed_version_is_selected_only_for_reuse(
         assert not new_root["changing"].satisfies("@1.0")
 
     @pytest.mark.regression("28259")
-    def test_reuse_with_unknown_namespace_dont_raise(self, mock_custom_repository):
+    def test_reuse_with_unknown_namespace_dont_raise(
+        self, temporary_store, mock_custom_repository
+    ):
         with spack.repo.use_repositories(mock_custom_repository, override=False):
             s = Spec("c").concretized()
             assert s.namespace != "builtin.mock"
@@ -1615,8 +1619,8 @@ def test_reuse_with_unknown_namespace_dont_raise(self, mock_custom_repository):
         assert s.namespace == "builtin.mock"
 
     @pytest.mark.regression("28259")
-    def test_reuse_with_unknown_package_dont_raise(self, tmpdir, monkeypatch):
-        builder = spack.repo.MockRepositoryBuilder(tmpdir, namespace="myrepo")
+    def test_reuse_with_unknown_package_dont_raise(self, tmpdir, temporary_store, monkeypatch):
+        builder = spack.repo.MockRepositoryBuilder(tmpdir.mkdir("mock.repo"), namespace="myrepo")
         builder.add_package("c")
         with spack.repo.use_repositories(builder.root, override=False):
             s = Spec("c").concretized()
@@ -2423,3 +2427,81 @@ def test_virtuals_provided_together_but_only_one_required_in_dag(self):
         s = Spec("blas-only-client ^openblas").concretized()
         assert s.satisfies("^[virtuals=blas] openblas")
         assert not s.satisfies("^[virtuals=blas,lapack] openblas")
+
+
+def test_reusable_externals_match(mock_packages, tmpdir):
+    spec = Spec("mpich@4.1%gcc@13.1.0~debug build_system=generic arch=linux-ubuntu23.04-zen2")
+    spec.external_path = tmpdir.strpath
+    spec.external_modules = ["mpich/4.1"]
+    spec._mark_concrete()
+    assert spack.solver.asp._is_reusable_external(
+        {
+            "mpich": {
+                "externals": [
+                    {"spec": "mpich@4.1", "prefix": tmpdir.strpath, "modules": ["mpich/4.1"]}
+                ]
+            }
+        },
+        spec,
+    )
+
+
+def test_reusable_externals_match_virtual(mock_packages, tmpdir):
+    spec = Spec("mpich@4.1%gcc@13.1.0~debug build_system=generic arch=linux-ubuntu23.04-zen2")
+    spec.external_path = tmpdir.strpath
+    spec.external_modules = ["mpich/4.1"]
+    spec._mark_concrete()
+    assert spack.solver.asp._is_reusable_external(
+        {
+            "mpi": {
+                "externals": [
+                    {"spec": "mpich@4.1", "prefix": tmpdir.strpath, "modules": ["mpich/4.1"]}
+                ]
+            }
+        },
+        spec,
+    )
+
+
+def test_reusable_externals_different_prefix(mock_packages, tmpdir):
+    spec = Spec("mpich@4.1%gcc@13.1.0~debug build_system=generic arch=linux-ubuntu23.04-zen2")
+    spec.external_path = "/other/path"
+    spec.external_modules = ["mpich/4.1"]
+    spec._mark_concrete()
+    assert not spack.solver.asp._is_reusable_external(
+        {
+            "mpich": {
+                "externals": [
+                    {"spec": "mpich@4.1", "prefix": tmpdir.strpath, "modules": ["mpich/4.1"]}
+                ]
+            }
+        },
+        spec,
+    )
+
+
+@pytest.mark.parametrize("modules", [None, ["mpich/4.1", "libfabric/1.19"]])
+def test_reusable_externals_different_modules(mock_packages, tmpdir, modules):
+    spec = Spec("mpich@4.1%gcc@13.1.0~debug build_system=generic arch=linux-ubuntu23.04-zen2")
+    spec.external_path = tmpdir.strpath
+    spec.external_modules = modules
+    spec._mark_concrete()
+    assert not spack.solver.asp._is_reusable_external(
+        {
+            "mpich": {
+                "externals": [
+                    {"spec": "mpich@4.1", "prefix": tmpdir.strpath, "modules": ["mpich/4.1"]}
+                ]
+            }
+        },
+        spec,
+    )
+
+
+def test_reusable_externals_different_spec(mock_packages, tmpdir):
+    spec = Spec("mpich@4.1%gcc@13.1.0~debug build_system=generic arch=linux-ubuntu23.04-zen2")
+    spec.external_path = tmpdir.strpath
+    spec._mark_concrete()
+    assert not spack.solver.asp._is_reusable_external(
+        {"mpich": {"externals": [{"spec": "mpich@4.1 +debug", "prefix": tmpdir.strpath}]}}, spec
+    )

lib/spack/spack/test/config.py

@@ -1239,11 +1239,11 @@ def test_user_config_path_is_default_when_env_var_is_empty(working_env):
     assert os.path.expanduser("~%s.spack" % os.sep) == spack.paths._get_user_config_path()
 
 
-def test_default_install_tree(monkeypatch):
+def test_default_install_tree(monkeypatch, default_config):
     s = spack.spec.Spec("nonexistent@x.y.z %none@a.b.c arch=foo-bar-baz")
     monkeypatch.setattr(s, "dag_hash", lambda: "abc123")
-    projection = spack.config.get("config:install_tree:projections:all", scope="defaults")
-    assert s.format(projection) == "foo-bar-baz/none-a.b.c/nonexistent-x.y.z-abc123"
+    _, _, projections = spack.store.parse_install_tree(spack.config.get("config"))
+    assert s.format(projections["all"]) == "foo-bar-baz/none-a.b.c/nonexistent-x.y.z-abc123"
 
 
 def test_local_config_can_be_disabled(working_env):

lib/spack/spack/test/conftest.py

@@ -630,7 +630,7 @@ def platform_config():
     spack.config.add_default_platform_scope(spack.platforms.real_host().name)
 
 
-@pytest.fixture(scope="session")
+@pytest.fixture
 def default_config():
     """Isolates the default configuration from the user configs.
 

lib/spack/spack/test/env.py

@@ -695,7 +695,7 @@ def test_removing_spec_from_manifest_with_exact_duplicates(
 
 @pytest.mark.regression("35298")
 @pytest.mark.only_clingo("Propagation not supported in the original concretizer")
-def test_variant_propagation_with_unify_false(tmp_path, mock_packages):
+def test_variant_propagation_with_unify_false(tmp_path, mock_packages, config):
     """Spack distributes concretizations to different processes, when unify:false is selected and
     the number of roots is 2 or more. When that happens, the specs to be concretized need to be
     properly reconstructed on the worker process, if variant propagation was requested.

lib/spack/spack/test/util/environment.py

@@ -147,7 +147,8 @@ def test_reverse_environment_modifications(working_env):
 
     reversal = to_reverse.reversed()
 
-    os.environ = start_env.copy()
+    os.environ.clear()
+    os.environ.update(start_env)
 
     print(os.environ)
     to_reverse.apply_modifications()

share/spack/gitlab/cloud_pipelines/.gitlab-ci.yml

@@ -461,6 +461,28 @@ build_systems-build:
     - artifacts: True
       job: build_systems-generate
 
+###########################################
+# Build tests for different developer tools
+###########################################
+.developer-tools:
+  extends: [ ".linux_x86_64_v3" ]
+  variables:
+    SPACK_CI_STACK_NAME: developer-tools
+
+developer-tools-generate:
+  extends: [ ".developer-tools", ".generate-x86_64"]
+
+developer-tools-build:
+  extends: [ ".developer-tools", ".build" ]
+  trigger:
+    include:
+      - artifact: jobs_scratch_dir/cloud-ci-pipeline.yml
+        job: developer-tools-generate
+    strategy: depend
+  needs:
+    - artifacts: True
+      job: developer-tools-generate
+
 #########################################
 # RADIUSS
 #########################################

share/spack/gitlab/cloud_pipelines/configs/linux/ci.yaml

@@ -193,7 +193,6 @@ ci:
       - blt
       - bzip2
       - camp
-      - cmake
       - curl
       - czmq
       - darshan-util

share/spack/gitlab/cloud_pipelines/stacks/developer-tools/spack.yaml

@@ -0,0 +1,69 @@
+spack:
+  view: false
+  packages:
+    all:
+      require: target=x86_64_v3
+  concretizer:
+    unify: true
+  definitions:
+    - default_specs:
+      # editors
+      - neovim~no_luajit
+      - py-pynvim
+      - emacs@29.1+json+native+treesitter # note, pulls in gcc
+      # - tree-sitter is a dep, should also have cli but no package
+      - nano # just in case
+      # tags and scope search helpers
+      - universal-ctags # only maintained ctags, works better with c++
+      - direnv
+      # runtimes and compilers
+      - python
+      - llvm+link_llvm_dylib~lld~lldb~polly+python build_type=MinSizeRel # for clangd, clang-format
+      - node-js # for editor plugins etc., pyright language server
+      - npm
+      - go # to build fzf, gh, hub
+      - rust+analysis # fd, ripgrep, hyperfine, exa, rust-analyzer
+      - binutils+ld+gold+plugins # support linking with built gcc
+      # styling and lints
+      - astyle
+      - cppcheck
+      - uncrustify
+      - py-fprettify
+      - py-fortran-language-server
+      - py-python-lsp-server
+      # cli dev tools
+      - ripgrep
+      - gh
+      - fd
+      - bfs
+      - fzf
+      - tree
+      - jq
+      - py-yq
+      - hub
+      - ncdu
+      - eza
+      - lsd
+      - hyperfine
+      - htop
+      - tmux
+      - ccache
+      # ensure we can use a jobserver build and do this fast
+      - gmake
+      - ninja # should be @kitware, can't be because of meson requirement
+      - "openssl certs=system" # must be this, system external does not work
+    - arch:
+      - '%gcc target=x86_64_v3'
+
+  specs:
+    - matrix:
+        - - $default_specs
+        - - $arch
+
+  ci:
+    pipeline-gen:
+    - build-job:
+        image: "ghcr.io/spack/ubuntu20.04-runner-amd64-gcc-11.4:2023.08.01"
+
+  cdash:
+    build-group: Developer Tools

share/spack/gitlab/cloud_pipelines/stacks/e4s-oneapi/spack.yaml

@@ -198,12 +198,12 @@ spack:
   # GPU
   - aml +ze
   - amrex +sycl
-  - arborx +sycl ^kokkos +sycl +openmp cxxstd=17 +tests +examples
-  - cabana +sycl ^kokkos +sycl +openmp cxxstd=17 +tests +examples
+  - arborx +sycl ^kokkos +sycl +openmp cxxstd=17 +examples
+  - cabana +sycl ^kokkos +sycl +openmp cxxstd=17 +examples
   - ginkgo +sycl
   - heffte +sycl
-  - kokkos +sycl +openmp cxxstd=17 +tests +examples
-  - kokkos-kernels build_type=Release %oneapi ^kokkos +sycl +openmp cxxstd=17 +tests +examples
+  - kokkos +sycl +openmp cxxstd=17 +examples
+  - kokkos-kernels build_type=Release %oneapi ^kokkos +sycl +openmp cxxstd=17 +examples
   - petsc +sycl
   - slate +sycl
   - sundials +sycl cxxstd=17 +examples-install

share/spack/gitlab/cloud_pipelines/stacks/ml-darwin-aarch64-mps/spack.yaml

@@ -24,7 +24,9 @@ spack:
 
   # Keras
   # Bazel codesign issues
-  # - py-keras
+  # - py-keras backend=tensorflow
+  # - py-keras backend=jax
+  - py-keras backend=torch
   - py-keras-applications
   - py-keras-preprocessing
   - py-keras2onnx

share/spack/gitlab/cloud_pipelines/stacks/ml-linux-x86_64-cpu/spack.yaml

@@ -19,7 +19,9 @@ spack:
     - py-jaxlib
 
     # Keras
-    - py-keras
+    # - py-keras backend=tensorflow
+    - py-keras backend=jax
+    - py-keras backend=torch
     - py-keras-applications
     - py-keras-preprocessing
     - py-keras2onnx

share/spack/gitlab/cloud_pipelines/stacks/ml-linux-x86_64-cuda/spack.yaml

@@ -22,7 +22,9 @@ spack:
     - py-jaxlib
 
     # Keras
-    - py-keras
+    # - py-keras backend=tensorflow
+    - py-keras backend=jax
+    - py-keras backend=torch
     - py-keras-applications
     - py-keras-preprocessing
     - py-keras2onnx

share/spack/gitlab/cloud_pipelines/stacks/ml-linux-x86_64-rocm/spack.yaml

@@ -24,7 +24,9 @@ spack:
     - py-jaxlib
 
     # Keras
-    - py-keras
+    # - py-keras backend=tensorflow
+    - py-keras backend=jax
+    # - py-keras backend=torch
     - py-keras-applications
     - py-keras-preprocessing
     - py-keras2onnx

var/spack/repos/builtin/packages/acfl/package.py

@@ -184,12 +184,13 @@ def get_os(ver):
 
 def get_armpl_version_to_3(spec):
     """Return version string with 3 numbers"""
-    version_len = len(spec.version)
+    version = spec.version.up_to(3)
+    version_len = len(version)
     assert version_len == 2 or version_len == 3
     if version_len == 2:
-        return spec.version.string + ".0"
+        return version.string + ".0"
     elif version_len == 3:
-        return spec.version.string
+        return version.string
 
 
 def get_armpl_prefix(spec):

var/spack/repos/builtin/packages/amg2023/package.py

@@ -18,7 +18,6 @@ class Amg2023(CMakePackage, CudaPackage, ROCmPackage):
     git = "https://github.com/LLNL/AMG2023.git"
 
     version("develop", branch="main")
-    version("cmake-build", git="https://github.com/dyokelson/AMG2023.git", branch="cmake")
 
     variant("mpi", default=True, description="Enable MPI support")
     variant("openmp", default=False, description="Enable OpenMP support")

var/spack/repos/builtin/packages/amrex/package.py

@@ -24,6 +24,7 @@ class Amrex(CMakePackage, CudaPackage, ROCmPackage):
     maintainers("WeiqunZhang", "asalmgren", "atmyers")
 
     version("develop", branch="development")
+    version("23.12", sha256="90e00410833d7a82bf6d9e71a70ce85d2bfb89770da7e34d0dda940f2bf5384a")
     version("23.11", sha256="49b9fea10cd2a2b6cb0fedf7eac8f7889eacc68a05ae5ac7c5702bc0eb1b3848")
     version("23.10", sha256="3c85aa0ad5f96303e797960a6e0aa37c427f6483f39cdd61dbc2f7ca16357714")
     version("23.09", sha256="1a539c2628041b17ad910afd9270332060251c8e346b1482764fdb87a4f25053")

var/spack/repos/builtin/packages/binder/package.py

@@ -49,6 +49,6 @@ def cmake_args(self):
     def setup_dependent_package(self, module, dependent_spec):
         llvm_dir = self.spec["llvm"].prefix
         self.spec.clang_include_dirs = llvm_dir.include
-        self.spec.LibClang_include_dir = llvm_dir.lib.clang.join(
+        self.spec.libclang_include_dir = llvm_dir.lib.clang.join(
             format(self.spec["llvm"].version)
         ).include

var/spack/repos/builtin/packages/cp2k/package.py

@@ -271,7 +271,8 @@ class Cp2k(MakefilePackage, CudaPackage, CMakePackage, ROCmPackage):
         depends_on("sirius@7.0.0:7.0", when="@8:8.2")
         depends_on("sirius@7.2", when="@8.3:8.9")
         depends_on("sirius@7.3:", when="@9.1")
-        depends_on("sirius@7.4:", when="@2023.2")
+        depends_on("sirius@7.4:7.5", when="@2023.2")
+        depends_on("sirius@7.5:", when="@master")
         conflicts("~mpi", msg="SIRIUS requires MPI")
         # sirius support was introduced in 7, but effectively usable starting from CP2K 9
         conflicts("@:8")

var/spack/repos/builtin/packages/curl/package.py

@@ -345,6 +345,12 @@ def determine_variants(cls, exes, version):
     def command(self):
         return Executable(self.prefix.bin.join("curl-config"))
 
+    def flag_handler(self, name, flags):
+        build_system_flags = []
+        if name == "cflags" and self.spec.compiler.name in ["intel", "oneapi"]:
+            build_system_flags = ["-we147"]
+        return flags, None, build_system_flags
+
 
 class AutotoolsBuilder(AutotoolsBuilder):
     def configure_args(self):

var/spack/repos/builtin/packages/dftbplus/package.py

@@ -3,85 +3,161 @@
 #
 # SPDX-License-Identifier: (Apache-2.0 OR MIT)
 
-import os
-
 from spack.package import *
 
 
-class Dftbplus(MakefilePackage):
+class Dftbplus(CMakePackage, MakefilePackage):
     """DFTB+ is an implementation of the
     Density Functional based Tight Binding (DFTB) method,
     containing many extensions to the original method."""
 
     homepage = "https://www.dftbplus.org"
-    url = "https://github.com/dftbplus/dftbplus/archive/19.1.tar.gz"
+    url = "https://github.com/dftbplus/dftbplus/releases/download/22.1/dftbplus-22.1.tar.xz"
+    git = "https://github.com/dftbplus/dftbplus.git"
 
-    version("19.1", sha256="4d07f5c6102f06999d8cfdb1d17f5b59f9f2b804697f14b3bc562e3ea094b8a8")
+    maintainers = ["HaoZeke", "aradi", "iamashwin99"]
+    generator = "Ninja"
 
-    resource(
-        name="slakos",
-        url="https://github.com/dftbplus/testparams/archive/dftbplus-18.2.tar.gz",
-        sha256="bd191b3d240c1a81a8754a365e53a78b581fc92eb074dd5beb8b56a669a8d3d1",
-        destination="external/slakos",
-        when="@18.2:",
+    build_system(
+        conditional("cmake", when="@20.1:"),
+        conditional("makefile", when="@:19.1"),
+        default="cmake",
     )
 
-    variant("mpi", default=True, description="Build an MPI-paralelised version of the code.")
+    version("main", branch="main")
+    version("22.1", sha256="02daca6f4c6372656598f3ba0311110c8e473c87c8d934d7bb276feaa4cc1c82")
+    version("21.2", sha256="fbeb0e0ea93ab4dc4450f298ec712d2cf991f19f621badf57dae05f0e43b5906")
+    version("21.1", sha256="8c1eb8a38f72c421e2ae20118a6db3a656fa84e8b180ef387e549a73ae77f970")
+    version("20.2.1", sha256="95cc85fdb08bd57ca013bd09f4f902303720e17d015a5fab2d4db63fcb6d9cb3")
+    version("20.2", sha256="eafd219159d600624041658046c89db539ceb0c1d2988b72321c80d9b992c9bf")
+    version("20.1", sha256="04c2b906b8670937c8ddd9c5fb68e7e9921b464840cf54aa3d698db98167d0b7")
+    version(
+        "19.1",
+        deprecated=True,
+        sha256="78f45ef0571c78cf732a5493d32830455a832fa05ebcad43098895e46ad8d220",
+    )
 
     variant(
-        "gpu",
-        default=False,
-        description="Use the MAGMA library " "for GPU accelerated computation",
+        "api",
+        default=True,
+        description="Whether public API should be included and the DFTB+ library installed.",
+    )
+    variant(
+        "arpack",
+        default=False,
+        description="Whether the ARPACK library should be included (needed for TD-DFTB).",
+        when="~mpi",
+    )
+    variant(
+        "chimes",
+        default=False,
+        when="@21.2:",
+        description="Whether repulsive corrections" "via the ChIMES library should be enabled.",
     )
-
     variant(
         "elsi",
         default=False,
         description="Use the ELSI library for large scale systems. "
         "Only has any effect if you build with '+mpi'",
+        when="+mpi",
+    )
+    variant(
+        "gpu",
+        default=False,
+        description="Use the MAGMA library " "for GPU accelerated computation",
+    )
+    variant(
+        "mbd",
+        default=False,
+        when="@21.1:",
+        description="Whether DFTB+ should be built with many-body-dispersion support.",
+    )
+    variant("mpi", default=False, description="Whether DFTB+ should support MPI-parallelism.")
+    variant(
+        "openmp",
+        default=True,
+        description="Whether OpenMP thread parallisation should be enabled.",
+    )
+    variant(
+        "plumed",
+        default=False,
+        when="@20.1:",
+        description="Whether metadynamics via the PLUMED2 library should be allowed.",
+    )
+    variant("poisson", default=False, description="Whether the Poisson-solver should be included.")
+    variant(
+        "python",
+        default=False,
+        description="Whether the Python components of DFTB+ should be tested and installed.",
+    )
+    variant(
+        "sdftd3",
+        default=False,
+        when="@21.2:",
+        description="Whether the s-dftd3 library should be included",
     )
-
     variant(
         "sockets",
         default=False,
         description="Whether the socket library " "(external control) should be linked",
     )
-
-    variant("arpack", default=False, description="Use ARPACK for excited state DFTB functionality")
-
     variant(
         "transport",
         default=False,
+        when="+shared",
         description="Whether transport via libNEGF should be included. "
         "Only affects parallel build. "
         "(serial version is built without libNEGF/transport)",
     )
+    variant(
+        "tblite",
+        default=False,
+        when="@21.2:",
+        description="Whether xTB support should be included via tblite.",
+    )
+
+    variant("shared", default=False, description="Most often for the Python wrappers.")
 
     variant(
         "dftd3",
         default=False,
+        when="@:19.1",
         description="Use DftD3 dispersion library " "(if you need this dispersion model)",
     )
 
-    depends_on("lapack")
-    depends_on("blas")
-    depends_on("scalapack", when="+mpi")
-    depends_on("mpi", when="+mpi")
+    depends_on("cmake@3.16:", type="build", when="@20.1:")
+    depends_on("ninja@1.10", type="build", when="@20.1:")
+
+    depends_on("blas", when="-mpi")
+    depends_on("lapack", when="-mpi")
+
+    depends_on("arpack-ng", when="+arpack~mpi")
+    depends_on("simple-dftd3", when="+sdftd3")
     depends_on("elsi", when="+elsi")
     depends_on("magma", when="+gpu")
-    depends_on("arpack-ng", when="+arpack")
+    depends_on("mpi", when="+mpi")
+    depends_on("plumed", when="+plumed")
+    depends_on("scalapack", when="+mpi")
+    depends_on("python@3.2:", type=("build", "run"))
+    depends_on("py-numpy", type=("build", "run"))  # for tests
+    # Only for 19.1
     depends_on("dftd3-lib@0.9.2", when="+dftd3")
 
+    # Conflicts
+    conflicts("+python", when="~shared")
+    conflicts("-poisson", when="+transport")
+
+    # Extensions
+    extends("python", when="+python")
+
+    @when("@19.1")  # Only version without CMake
     def edit(self, spec, prefix):
         """
         First, change the ROOT variable, because, for some reason,
         the Makefile and the spack install script run in different directories
-
         Then, if using GCC, rename the file 'sys/make.x86_64-linux-gnu'
         to make.arch.
-
         After that, edit the make.arch to point to the dependencies
-
         And the last thing we do here is to set the installdir
         """
         dircwd = os.getcwd()
@@ -160,3 +236,79 @@ def edit(self, spec, prefix):
             )
 
             mconfig.filter("WITH_DFTD3 := .*", "WITH_DFTD3 := 1")
+
+    def cmake_args(self):
+        args = [
+            self.define_from_variant("WITH_OPENMP", "openmp"),
+            self.define_from_variant("WITH_API", "api"),
+            self.define_from_variant("WITH_ARPACK", "arpack"),
+            self.define_from_variant("WITH_CHIMES", "chimes"),
+            self.define_from_variant("WITH_ELSI", "elsi"),
+            self.define_from_variant("WITH_GPU", "gpu"),
+            self.define_from_variant("WITH_MBD", "mbd"),
+            self.define_from_variant("WITH_MPI", "mpi"),
+            self.define_from_variant("WITH_PLUMED", "plumed"),
+            self.define_from_variant("WITH_POISSON", "poisson"),
+            self.define_from_variant("WITH_PYTHON", "python"),
+            self.define_from_variant("WITH_SDFTD3", "sdftd3"),
+            self.define_from_variant("WITH_SOCKETS", "sockets"),
+            self.define_from_variant("WITH_TBLITE", "tblite"),
+            self.define_from_variant("WITH_TRANSPORT", "transport"),
+            self.define_from_variant("BUILD_SHARED_LIBS", "shared"),
+        ]
+        # SCALAPACK
+        # Note: dftbplus@20.1 uses plural form of the option names
+        #       (e.g. -DSCALAPACK_LIBRARIES)
+        # but dftbplus@20.2 onwards uses singular
+        #       (e.g. -DSCALAPACK_LIBRARY)
+        # and plural form is ignored.
+        # We set both inorder to be compatible with all versions.
+        if "+mpi" in self.spec:
+            # we use scalapack for linear algebra
+            args.extend(
+                [
+                    self.define("SCALAPACK_FOUND", "true"),
+                    self.define("SCALAPACK_INCLUDE_DIRS", self.spec["scalapack"].prefix.include),
+                    self.define("SCALAPACK_LIBRARIES", self.spec["scalapack"].libs.joined(";")),
+                    self.define("SCALAPACK_LIBRARY", self.spec["scalapack"].libs.joined(";")),
+                ]
+            )
+        else:
+            # we define the lapack and blas libraries
+            lapack_libs = self.spec["lapack"].libs.joined(";")
+            blas_libs = self.spec["blas"].libs.joined(";")
+            args.extend(
+                [
+                    self.define("LAPACK_FOUND", True),
+                    self.define("LAPACK_INCLUDE_DIRS", self.spec["lapack"].prefix.include),
+                    self.define("LAPACK_LIBRARIES", lapack_libs),
+                    self.define("LAPACK_LIBRARY", lapack_libs),
+                    self.define("BLAS_FOUND", True),
+                    self.define("BLAS_INCLUDE_DIRS", self.spec["blas"].prefix.include),
+                    self.define("BLAS_LIBRARIES", blas_libs),
+                    self.define("BLAS_LIBRARY", blas_libs),
+                ]
+            )
+        if "+python" in self.spec:
+            args.append(self.define("BUILD_SHARED_LIBS", True))
+        if self.run_tests:
+            args.append("-DWITH_UNIT_TESTS=ON")
+        else:
+            args.append("-DWITH_UNIT_TESTS=OFF")
+        return args
+
+    @run_after("build")
+    @on_package_attributes(run_tests=True)
+    def check_install(self):
+        """Run ctest after building binary.
+        only run the unit tests. If the unit tests fail, the installation throws
+        a warning."""
+
+        with working_dir(self.build_directory):
+            try:
+                ctest("")
+            except ProcessError:
+                warn = "Unit tests failed.\n"
+                warn += "Please report this failure to:\n"
+                warn += "https://github.com/dftbplus/dftbplus/issues"
+                tty.msg(warn)

var/spack/repos/builtin/packages/eccodes/package.py

@@ -48,6 +48,8 @@ class Eccodes(CMakePackage):
     maintainers("skosukhin")
 
     version("develop", branch="develop")
+    version("2.32.0", sha256="b57e8eeb0eba0c05d66fda5527c4ffa84b5ab35c46bcbc9a2227142973ccb8e6")
+    version("2.31.0", sha256="808ecd2c11fbf2c3f9fc7a36f8c2965b343f3151011b58a1d6e7cc2e6b3cac5d")
     version("2.25.0", sha256="8975131aac54d406e5457706fd4e6ba46a8cc9c7dd817a41f2aa64ce1193c04e")
     version("2.24.2", sha256="c60ad0fd89e11918ace0d84c01489f21222b11d6cad3ff7495856a0add610403")
     version("2.23.0", sha256="cbdc8532537e9682f1a93ddb03440416b66906a4cc25dec3cbd73940d194bf0c")
@@ -70,7 +72,7 @@ class Eccodes(CMakePackage):
     )
     variant("png", default=False, description="Enable PNG support for decoding/encoding")
     variant(
-        "aec", default=False, description="Enable Adaptive Entropy Coding for decoding/encoding"
+        "aec", default=True, description="Enable Adaptive Entropy Coding for decoding/encoding"
     )
     variant("pthreads", default=False, description="Enable POSIX threads")
     variant("openmp", default=False, description="Enable OpenMP threads")
@@ -106,6 +108,7 @@ class Eccodes(CMakePackage):
     depends_on("cmake@3.12:", when="@2.19:", type="build")
 
     depends_on("ecbuild", type="build", when="@develop")
+    depends_on("ecbuild@3.7:", type="build", when="@2.25:")
 
     conflicts("+openmp", when="+pthreads", msg="Cannot enable both POSIX threads and OMP")
 

var/spack/repos/builtin/packages/exago/package.py

@@ -140,7 +140,8 @@ class Exago(CMakePackage, CudaPackage, ROCmPackage):
     depends_on("hiop@0.3.99:", when="@0.99:+hiop")
     depends_on("hiop@0.5.1:", when="@1.1.0:+hiop")
     depends_on("hiop@0.5.3:", when="@1.3.0:+hiop")
-    depends_on("hiop@0.7.0:1.0.0", when="@1.5.0:+hiop")
+    depends_on("hiop@0.7.0:1.0.0", when="@1.5.0:1.6.0+hiop")
+    depends_on("hiop@1.0.1:", when="@develop:+hiop")
 
     depends_on("hiop~mpi", when="+hiop~mpi")
     depends_on("hiop+mpi", when="+hiop+mpi")
@@ -160,7 +161,7 @@ class Exago(CMakePackage, CudaPackage, ROCmPackage):
     depends_on("petsc@3.13:3.14", when="@:1.2")
     depends_on("petsc@3.16", when="@1.3:1.4")
     depends_on("petsc@3.18:3.19", when="@1.5")
-    depends_on("petsc@3.20:", when="@1.6:")
+    depends_on("petsc@3.19:", when="@1.6:")
 
     depends_on("petsc~mpi", when="~mpi")
 

var/spack/repos/builtin/packages/flecsi/package.py

@@ -31,27 +31,6 @@ class Flecsi(CMakePackage, CudaPackage, ROCmPackage):
     version(
         "1.4.1", tag="v1.4.1", commit="ab974c3164056e6c406917c8ca771ffd43c5a031", submodules=True
     )
-    version(
-        "1.4.develop",
-        git="https://github.com/laristra/flecsi.git",
-        branch="1.4",
-        submodules=True,
-        deprecated=True,
-    )
-    version(
-        "1.4.2",
-        git="https://github.com/laristra/flecsi.git",
-        tag="v1.4.2",
-        submodules=True,
-        deprecated=True,
-    )
-    version(
-        "flecsph",
-        git="https://github.com/laristra/flecsi.git",
-        branch="stable/flecsph",
-        submodules=True,
-        deprecated=True,
-    )
 
     variant(
         "backend",
@@ -63,7 +42,7 @@ class Flecsi(CMakePackage, CudaPackage, ROCmPackage):
     variant("shared", default=True, description="Build shared libraries")
     variant("flog", default=False, description="Enable logging support")
     variant("graphviz", default=False, description="Enable GraphViz Support")
-    variant("doc", default=False, description="Enable documentation")
+    variant("doc", default=False, description="Enable documentation", when="@2.2:")
     variant("hdf5", default=True, description="Enable HDF5 Support")
     variant(
         "caliper_detail",
@@ -130,10 +109,12 @@ class Flecsi(CMakePackage, CudaPackage, ROCmPackage):
     depends_on("kokkos@3.2.00:", when="+kokkos @2.0:")
     depends_on("kokkos +cuda +cuda_constexpr +cuda_lambda", when="+kokkos +cuda @2.0:")
     depends_on("kokkos +rocm", when="+kokkos +rocm @2.0:")
+    depends_on("kokkos +openmp", when="+kokkos +openmp @2.0:")
     depends_on("legion@cr", when="backend=legion @2.0:")
     depends_on("legion+shared", when="backend=legion +shared @2.0:")
     depends_on("legion+hdf5", when="backend=legion +hdf5 @2.0:")
     depends_on("legion+kokkos", when="backend=legion +kokkos @2.0:")
+    depends_on("legion+openmp", when="backend=legion +openmp @2.0:")
     depends_on("legion+cuda", when="backend=legion +cuda @2.0:")
     depends_on("legion+rocm", when="backend=legion +rocm @2.0:")
     depends_on("hdf5@1.10.7:", when="backend=legion +hdf5 @2.0:")
@@ -143,11 +124,11 @@ class Flecsi(CMakePackage, CudaPackage, ROCmPackage):
     depends_on("openmpi@4.1.0:", when="@2.0: ^openmpi")
 
     # FleCSI 2.2+ documentation dependencies
-    depends_on("py-sphinx", when="@2.2: +doc")
-    depends_on("py-sphinx-rtd-theme", when="@2.2: +doc")
-    depends_on("py-recommonmark", when="@2.2: +doc")
-    depends_on("doxygen", when="@2.2: +doc")
-    depends_on("graphviz", when="@2.2: +doc")
+    depends_on("py-sphinx", when="+doc")
+    depends_on("py-sphinx-rtd-theme", when="+doc")
+    depends_on("py-recommonmark", when="+doc")
+    depends_on("doxygen", when="+doc")
+    depends_on("graphviz", when="+doc")
 
     # Propagate cuda_arch requirement to dependencies
     for _flag in CudaPackage.cuda_arch_values:
@@ -182,6 +163,7 @@ class Flecsi(CMakePackage, CudaPackage, ROCmPackage):
     # Due to overhauls of Legion and Gasnet spackages
     #   flecsi@:1.4 can no longer be built with a usable legion
     conflicts("backend=legion", when="@:1.4")
+    conflicts("+hdf5", when="@2: backend=hpx", msg="HPX backend doesn't support HDF5")
 
     def cmake_args(self):
         spec = self.spec
@@ -217,7 +199,6 @@ def cmake_args(self):
                 self.define_from_variant("ENABLE_KOKKOS", "kokkos"),
                 self.define_from_variant("ENABLE_OPENMP", "openmp"),
                 self.define_from_variant("ENABLE_DOXYGEN", "doxygen"),
-                self.define_from_variant("ENABLE_DOCUMENTATION", "doc"),
                 self.define_from_variant("ENABLE_COVERAGE_BUILD", "coverage"),
                 self.define_from_variant("ENABLE_FLOG", "flog"),
                 self.define_from_variant("ENABLE_FLECSIT", "tutorial"),

var/spack/repos/builtin/packages/gdal/package.py

@@ -30,6 +30,7 @@ class Gdal(CMakePackage, AutotoolsPackage, PythonExtension):
 
     maintainers("adamjstewart")
 
+    version("3.8.1", sha256="75a20b23879bfa3d8c0db68e1d6f8b924f7f9d97f5fed089b01a72e404293900")
     version("3.8.0", sha256="ec0f78d9dc32352aeac6edc9c3b27a991b91f9dc6f92c452207d84431c58757d")
     version("3.7.3", sha256="e0a6f0c453ea7eb7c09967f50ac49426808fcd8f259dbc9888140eb69d7ffee6")
     version("3.7.2", sha256="40c0068591d2c711c699bbb734319398485ab169116ac28005d8302f80b923ad")

var/spack/repos/builtin/packages/intel-mpi/package.py

@@ -8,7 +8,7 @@
 
 @IntelOneApiPackage.update_description
 class IntelMpi(IntelPackage):
-    """Intel MPI. This package has been replaced by intel-oneapi-mpi."""
+    """Intel MPI. This package has been deprecated. Use intel-oneapi-mpi instead."""
 
     maintainers("rscohn2")
 
@@ -18,107 +18,128 @@ class IntelMpi(IntelPackage):
         "2019.10.317",
         sha256="28e1b615e63d2170a99feedc75e3b0c5a7e1a07dcdaf0a4181831b07817a5346",
         url="https://registrationcenter-download.intel.com/akdlm/irc_nas/tec/17534/l_mpi_2019.10.317.tgz",
+        deprecated=True,
     )
     version(
         "2019.9.304",
         sha256="618a5dc2de54306645e6428c5eb7d267b54b11b5a83dfbcad7d0f9e0d90bb2e7",
         url="https://registrationcenter-download.intel.com/akdlm/irc_nas/tec/17263/l_mpi_2019.9.304.tgz",
+        deprecated=True,
     )
     version(
         "2019.8.254",
         sha256="fa163b4b79bd1b7509980c3e7ad81b354fc281a92f9cf2469bf4d323899567c0",
         url="https://registrationcenter-download.intel.com/akdlm/irc_nas/tec/16814/l_mpi_2019.8.254.tgz",
+        deprecated=True,
     )
     version(
         "2019.7.217",
         sha256="90383b0023f84ac003a55d8bb29dbcf0c639f43a25a2d8d8698a16e770ac9c07",
         url="https://registrationcenter-download.intel.com/akdlm/irc_nas/tec/16546/l_mpi_2019.7.217.tgz",
+        deprecated=True,
     )
     version(
         "2019.6.166",
         sha256="119be69f1117c93a9e5e9b8b4643918e55d2a55a78ad9567f77d16cdaf18cd6e",
         url="https://registrationcenter-download.intel.com/akdlm/irc_nas/tec/16120/l_mpi_2019.6.166.tgz",
+        deprecated=True,
     )
     version(
         "2019.5.281",
         sha256="9c59da051f1325b221e5bc4d8b689152e85d019f143069fa39e17989306811f4",
         url="https://registrationcenter-download.intel.com/akdlm/irc_nas/tec/15838/l_mpi_2019.5.281.tgz",
+        deprecated=True,
     )
     version(
         "2019.4.243",
         sha256="233a8660b92ecffd89fedd09f408da6ee140f97338c293146c9c080a154c5fcd",
         url="https://registrationcenter-download.intel.com/akdlm/irc_nas/tec/15553/l_mpi_2019.4.243.tgz",
+        deprecated=True,
     )
     version(
         "2019.3.199",
         sha256="5304346c863f64de797250eeb14f51c5cfc8212ff20813b124f20e7666286990",
         url="https://registrationcenter-download.intel.com/akdlm/irc_nas/tec/15260/l_mpi_2019.3.199.tgz",
+        deprecated=True,
     )
     version(
         "2019.2.187",
         sha256="6a3305933b5ef9e3f7de969e394c91620f3fa4bb815a4f439577739d04778b20",
         url="https://registrationcenter-download.intel.com/akdlm/irc_nas/tec/15040/l_mpi_2019.2.187.tgz",
+        deprecated=True,
     )
     version(
         "2019.1.144",
         sha256="dac86a5db6b86503313742b17535856a432955604f7103cb4549a9bfc256c3cd",
         url="https://registrationcenter-download.intel.com/akdlm/irc_nas/tec/14879/l_mpi_2019.1.144.tgz",
+        deprecated=True,
     )
     version(
         "2019.0.117",
         sha256="dfb403f49c1af61b337aa952b71289c7548c3a79c32c57865eab0ea0f0e1bc08",
         url="https://registrationcenter-download.intel.com/akdlm/irc_nas/tec/13584/l_mpi_2019.0.117.tgz",
+        deprecated=True,
     )
     version(
         "2018.4.274",
         sha256="a1114b3eb4149c2f108964b83cad02150d619e50032059d119ac4ffc9d5dd8e0",
         url="https://registrationcenter-download.intel.com/akdlm/irc_nas/tec/13741/l_mpi_2018.4.274.tgz",
+        deprecated=True,
     )
     version(
         "2018.3.222",
         sha256="5021d14b344fc794e89f146e4d53d70184d7048610895d7a6a1e8ac0cf258999",
         url="https://registrationcenter-download.intel.com/akdlm/irc_nas/tec/13112/l_mpi_2018.3.222.tgz",
+        deprecated=True,
     )
     version(
         "2018.2.199",
         sha256="0927f1bff90d10974433ba2892e3fd38e6fee5232ab056a9f9decf565e814460",
         url="https://registrationcenter-download.intel.com/akdlm/irc_nas/tec/12748/l_mpi_2018.2.199.tgz",
+        deprecated=True,
     )
     version(
         "2018.1.163",
         sha256="130b11571c3f71af00a722fa8641db5a1552ac343d770a8304216d8f5d00e75c",
         url="http://registrationcenter-download.intel.com/akdlm/irc_nas/tec/12414/l_mpi_2018.1.163.tgz",
+        deprecated=True,
     )
     version(
         "2018.0.128",
         sha256="debaf2cf80df06db9633dfab6aa82213b84a665a55ee2b0178403906b5090209",
         url="http://registrationcenter-download.intel.com/akdlm/irc_nas/tec/12120/l_mpi_2018.0.128.tgz",
+        deprecated=True,
     )
     version(
         "2017.4.239",
         sha256="5a1048d284dce8bc75b45789471c83c94b3c59f8f159cab43d783fc44302510b",
         url="http://registrationcenter-download.intel.com/akdlm/irc_nas/tec/12209/l_mpi_2017.4.239.tgz",
+        deprecated=True,
     )
     version(
         "2017.3.196",
         sha256="dad9efbc5bbd3fd27cce7e1e2507ad77f342d5ecc929747ae141c890e7fb87f0",
         url="http://registrationcenter-download.intel.com/akdlm/irc_nas/tec/11595/l_mpi_2017.3.196.tgz",
+        deprecated=True,
     )
     version(
         "2017.2.174",
         sha256="106a4b362c13ddc6978715e50f5f81c58c1a4c70cd2d20a99e94947b7e733b88",
         url="http://registrationcenter-download.intel.com/akdlm/irc_nas/tec/11334/l_mpi_2017.2.174.tgz",
+        deprecated=True,
     )
     version(
         "2017.1.132",
         sha256="8d30a63674fe05f17b0a908a9f7d54403018bfed2de03c208380b171ab99be82",
         url="http://registrationcenter-download.intel.com/akdlm/irc_nas/tec/11014/l_mpi_2017.1.132.tgz",
+        deprecated=True,
     )
     # built from parallel_studio_xe_2016.3.068
     version(
         "5.1.3.223",
         sha256="544f4173b09609beba711fa3ba35567397ff3b8390e4f870a3307f819117dd9b",
         url="https://registrationcenter-download.intel.com/akdlm/irc_nas/tec/9278/l_mpi_p_5.1.3.223.tgz",
+        deprecated=True,
     )
 
     provides("mpi")

var/spack/repos/builtin/packages/kokkos/package.py

@@ -25,6 +25,7 @@ class Kokkos(CMakePackage, CudaPackage, ROCmPackage):
 
     version("master", branch="master")
     version("develop", branch="develop")
+    version("4.2.00", sha256="ac08765848a0a6ac584a0a46cd12803f66dd2a2c2db99bb17c06ffc589bf5be8")
     version("4.1.00", sha256="cf725ea34ba766fdaf29c884cfe2daacfdc6dc2d6af84042d1c78d0f16866275")
     version("4.0.01", sha256="bb942de8afdd519fd6d5d3974706bfc22b6585a62dd565c12e53bdb82cd154f0")
     version("4.0.00", sha256="1829a423883d4b44223c7c3a53d3c51671145aad57d7d23e6a1a4bebf710dcf6")
@@ -155,6 +156,7 @@ class Kokkos(CMakePackage, CudaPackage, ROCmPackage):
         "gfx906": "vega906",
         "gfx908": "vega908",
         "gfx90a": "vega90A",
+        "gfx942": "amd_gfx942",
         "gfx1030": "navi1030",
         "gfx1100": "navi1100",
     }
@@ -234,6 +236,7 @@ class Kokkos(CMakePackage, CudaPackage, ROCmPackage):
 
     # Patches
     patch("hpx_profiling_fences.patch", when="@3.5.00 +hpx")
+    patch("sycl_bhalft_test.patch", when="@4.2.00 +sycl")
 
     variant("shared", default=True, description="Build shared libraries")
 

var/spack/repos/builtin/packages/kokkos/sycl_bhalft_test.patch

@@ -0,0 +1,14 @@
+diff -ruN spack-src/core/unit_test/TestNumericTraits.hpp spack-src-patched/core/unit_test/TestNumericTraits.hpp
+--- spack-src/core/unit_test/TestNumericTraits.hpp	2023-11-20 13:26:46.000000000 -0800
++++ spack-src-patched/core/unit_test/TestNumericTraits.hpp	2023-11-28 12:06:44.216150685 -0800
+@@ -110,8 +110,8 @@
+ 
+   KOKKOS_FUNCTION void operator()(Epsilon, int, int& e) const {
+     using Kokkos::Experimental::epsilon;
+-    auto const eps = epsilon<T>::value;
+-    auto const one = T(1);
++    T const eps = epsilon<T>::value;
++    T const one = 1;
+     // Avoid higher precision intermediate representation
+     compare() = one + eps;
+     e += (int)!(compare() != one);

var/spack/repos/builtin/packages/lammps/package.py

@@ -3,13 +3,14 @@
 #
 # SPDX-License-Identifier: (Apache-2.0 OR MIT)
 import datetime as dt
+import os
 
 import archspec
 
 from spack.package import *
 
 
-class Lammps(CMakePackage, CudaPackage, ROCmPackage):
+class Lammps(CMakePackage, CudaPackage, ROCmPackage, PythonExtension):
     """LAMMPS stands for Large-scale Atomic/Molecular Massively
     Parallel Simulator.
     """
@@ -28,10 +29,16 @@ class Lammps(CMakePackage, CudaPackage, ROCmPackage):
     #   marked deprecated=True
     # * patch releases older than a stable release should be marked deprecated=True
     version("develop", branch="develop")
+    version("20231121", sha256="704d8a990874a425bcdfe0245faf13d712231ba23f014a3ebc27bc14398856f1")
+    version(
+        "20230802.1",
+        sha256="0e5568485e5ee080412dba44a1b7a93f864f1b5c75121f11d528854269953ed0",
+        preferred=True,
+    )
     version(
         "20230802",
         sha256="48dc8b0b0583689e80ea2052275acbc3e3fce89707ac557e120db5564257f7df",
-        preferred=True,
+        deprecated=True,
     )
     version(
         "20230615",
@@ -343,6 +350,7 @@ class Lammps(CMakePackage, CudaPackage, ROCmPackage):
     )
 
     stable_versions = {
+        "20230802.1",
         "20230802",
         "20220623.4",
         "20220623.3",
@@ -437,7 +445,7 @@ def url_for_version(self, version):
         "mofff": {"when": "@20210702:"},
         "molecule": {"default": True},
         "molfile": {"when": "@20210702:"},
-        "mpiio": {},
+        "mpiio": {"when": "@:20230802.1"},
         "netcdf": {"when": "@20210702:"},
         "openmp-package": {},
         "opt": {},
@@ -530,7 +538,12 @@ def url_for_version(self, version):
     variant("ffmpeg", default=False, description="Build with ffmpeg support")
     variant("openmp", default=True, description="Build with OpenMP")
     variant("opencl", default=False, description="Build with OpenCL")
-    variant("exceptions", default=False, description="Build with lammps exceptions")
+    variant(
+        "exceptions",
+        default=False,
+        description="Build with lammps exceptions",
+        when="@:20230802.1",
+    )
     variant(
         "cuda_mps",
         default=False,
@@ -563,6 +576,7 @@ def url_for_version(self, version):
         multi=False,
     )
 
+    depends_on("cmake@3.16:", when="@20231121:")
     depends_on("mpi", when="+mpi")
     depends_on("mpi", when="+mpiio")
     depends_on("fftw-api@3", when="+kspace")
@@ -602,11 +616,14 @@ def url_for_version(self, version):
     depends_on("plumed", when="+plumed")
     depends_on("eigen@3:", when="+user-smd")
     depends_on("eigen@3:", when="+machdyn")
-    depends_on("py-cython", when="+mliap+python")
-    depends_on("py-cython", when="+ml-iap+python")
-    depends_on("py-numpy", when="+python")
-    depends_on("py-mpi4py", when="+python+mpi")
-    depends_on("py-setuptools", when="@20220217:+python", type="build")
+    depends_on("py-cython", when="+mliap+python", type="build")
+    depends_on("py-cython", when="+ml-iap+python", type="build")
+    depends_on("py-pip", when="+python", type="build")
+    depends_on("py-wheel", when="+python", type="build")
+    depends_on("py-build", when="+python", type="build")
+    depends_on("py-numpy", when="+python", type=("build", "run"))
+    depends_on("py-mpi4py", when="+python+mpi", type=("build", "run"))
+    depends_on("py-setuptools@42:", when="@20220217:+python", type=("build", "run"))
     depends_on("n2p2@2.1.4:", when="+user-hdnnp")
     depends_on("n2p2@2.1.4:", when="+ml-hdnnp")
     depends_on("n2p2+shared", when="+lib ^n2p2")
@@ -686,8 +703,8 @@ def url_for_version(self, version):
     # Older LAMMPS does not compile with Kokkos 4.x
     conflicts(
         "^kokkos@4:",
-        when="@:20230802",
-        msg="LAMMPS is incompatible with Kokkos 4.x until @20230802",
+        when="@:20230802.1",
+        msg="LAMMPS is incompatible with Kokkos 4.x until @20230802.1",
     )
 
     patch("lib.patch", when="@20170901")
@@ -706,6 +723,16 @@ def url_for_version(self, version):
     )
     patch("hip_cmake.patch", when="@20220623:20221222 ~kokkos+rocm")
 
+    # Add large potential files
+    resource(
+        name="C_10_10.mesocnt",
+        url="https://download.lammps.org/potentials/C_10_10.mesocnt",
+        sha256="923f600a081d948eb8b4510f84aa96167b5a6c3e1aba16845d2364ae137dc346",
+        expand=False,
+        placement={"C_10_10.mesocnt": "potentials/C_10_10.mesocnt"},
+        when="+mesont",
+    )
+
     root_cmakelists_dir = "cmake"
 
     def cmake_args(self):
@@ -723,6 +750,7 @@ def cmake_args(self):
             self.define_from_variant("{}_MPI".format(mpi_prefix), "mpi"),
             self.define_from_variant("BUILD_OMP", "openmp"),
             self.define("ENABLE_TESTING", self.run_tests),
+            self.define("DOWNLOAD_POTENTIALS", False),
         ]
         if "~kokkos" in spec:
             # LAMMPS can be build with the GPU package OR the KOKKOS package
@@ -824,6 +852,9 @@ def cmake_args(self):
         if "+rocm" in spec:
             args.append(self.define("CMAKE_CXX_COMPILER", spec["hip"].hipcc))
 
+        if "+python" in spec:
+            args.append(self.define("Python_EXECUTABLE", spec["python"].command.path))
+
         return args
 
     def setup_build_environment(self, env):
@@ -833,5 +864,20 @@ def setup_build_environment(self, env):
     def setup_run_environment(self, env):
         env.set("LAMMPS_POTENTIALS", self.prefix.share.lammps.potentials)
         if "+python" in self.spec:
-            env.prepend_path("LD_LIBRARY_PATH", self.prefix.lib)
-            env.prepend_path("LD_LIBRARY_PATH", self.prefix.lib64)
+            if self.spec.platform == "darwin":
+                env.prepend_path("DYLD_FALLBACK_LIBRARY_PATH", self.prefix.lib)
+                env.prepend_path("DYLD_FALLBACK_LIBRARY_PATH", self.prefix.lib64)
+            else:
+                env.prepend_path("LD_LIBRARY_PATH", self.prefix.lib)
+                env.prepend_path("LD_LIBRARY_PATH", self.prefix.lib64)
+
+    @run_after("install")
+    def install_python(self):
+        # do LAMMPS Python package installation using pip
+        if self.spec.satisfies("@20230328: +python"):
+            with working_dir("python"):
+                os.environ["LAMMPS_VERSION_FILE"] = join_path(
+                    self.stage.source_path, "src", "version.h"
+                )
+                args = std_pip_args + ["--prefix=" + self.prefix, "."]
+                pip(*args)

var/spack/repos/builtin/packages/libfabric/package.py

@@ -125,6 +125,12 @@ class Libfabric(AutotoolsPackage):
 
     conflicts("@1.9.0", when="platform=darwin", msg="This distribution is missing critical files")
     conflicts("fabrics=opx", when="@:1.14.99")
+    conflicts(
+        "fabrics=opx",
+        when="@1.20.0",
+        msg="Libfabric 1.20.0 uses values in memory that are not correctly "
+        "set by OPX, resulting in undefined behavior.",
+    )
 
     flag_handler = build_system_flags
 

var/spack/repos/builtin/packages/lsd/package.py

@@ -0,0 +1,22 @@
+# Copyright 2013-2023 Lawrence Livermore National Security, LLC and other
+# Spack Project Developers. See the top-level COPYRIGHT file for details.
+#
+# SPDX-License-Identifier: (Apache-2.0 OR MIT)
+
+from spack.package import *
+
+
+class Lsd(CargoPackage):
+    """A rewrite of GNU ls with lots of added features like colors, icons, tree-view,
+    more formatting options etc."""
+
+    homepage = "https://github.com/lsd-rs/lsd"
+    url = "https://github.com/lsd-rs/lsd/archive/refs/tags/v1.0.0.tar.gz"
+
+    maintainers("trws")
+
+    license("Apache-2.0")
+
+    version("1.0.0", sha256="ab34e9c85bc77cfa42b43bfb54414200433a37419f3b1947d0e8cfbb4b7a6325")
+
+    depends_on("rust@1.63:")

var/spack/repos/builtin/packages/met/package.py

@@ -106,7 +106,7 @@ def setup_build_environment(self, env):
             ldflags.append(nc_config("--libs", "--static", output=str).strip())
             libs.append(nc_config("--libs", "--static", output=str).strip())
 
-        zlib = spec["zlib"]
+        zlib = spec["zlib-api"]
         cppflags.append("-D__64BIT__")
         ldflags.append("-L" + zlib.prefix.lib)
         libs.append("-lz")
@@ -128,6 +128,7 @@ def setup_build_environment(self, env):
         if "+python" in spec:
             python = spec["python"]
             env.set("MET_PYTHON", python.command.path)
+            env.set("MET_PYTHON_BIN_EXE", python.command.path)
             env.set("MET_PYTHON_CC", "-I" + python.headers.directories[0])
             py_ld = [python.libs.ld_flags]
             if spec["python"].satisfies("~shared"):
@@ -143,6 +144,11 @@ def setup_build_environment(self, env):
             env.set("MET_HDF5", hdf.prefix)
             env.set("MET_HDFEOS", hdfeos.prefix)
 
+            if "+szip" in hdf:
+                libs.append(" ".join(hdf["szip"].libs))
+            if "+external-xdr" in hdf:
+                libs.append(" ".join(hdf["rpc"].libs))
+
         if "+graphics" in spec:
             cairo = spec["cairo"]
             freetype = spec["freetype"]

var/spack/repos/builtin/packages/mfem/package.py

@@ -751,12 +751,14 @@ def find_optional_library(name, prefix):
                     )
                     gfortran_lib = LibraryList(libfile)
                     sp_lib += [ld_flags_from_library_list(gfortran_lib)]
-                if ("^mpich" in strumpack) or ("^mvapich2" in strumpack):
-                    sp_lib += ["-lmpifort"]
-                elif "^openmpi" in strumpack:
-                    sp_lib += ["-lmpi_mpifh"]
-                elif "^spectrum-mpi" in strumpack:
-                    sp_lib += ["-lmpi_ibm_mpifh"]
+                if "+mpi" in strumpack:
+                    mpi = strumpack["mpi"]
+                    if ("^mpich" in strumpack) or ("^mvapich2" in strumpack):
+                        sp_lib += [ld_flags_from_dirs([mpi.prefix.lib], ["mpifort"])]
+                    elif "^openmpi" in strumpack:
+                        sp_lib += [ld_flags_from_dirs([mpi.prefix.lib], ["mpi_mpifh"])]
+                    elif "^spectrum-mpi" in strumpack:
+                        sp_lib += [ld_flags_from_dirs([mpi.prefix.lib], ["mpi_ibm_mpifh"])]
             if "+openmp" in strumpack:
                 # The '+openmp' in the spec means strumpack will TRY to find
                 # OpenMP; if not found, we should not add any flags -- how do

var/spack/repos/builtin/packages/mgis/package.py

@@ -24,6 +24,8 @@ class Mgis(CMakePackage):
 
     # development branches
     version("master", branch="master")
+    version("rliv-2.2", branch="rliv-2.2")
+    version("rliv-2.1", branch="rliv-2.1")
     version("rliv-2.0", branch="rliv-2.0")
     version("rliv-1.2", branch="rliv-1.2")
     version("rliv-1.1", branch="rliv-1.1")
@@ -31,10 +33,12 @@ class Mgis(CMakePackage):
 
     # released version
     version(
-        "2.0",
-        sha256="cb427d77f2c79423e969815b948a8b44da33a4370d1760e8c1e22a569f3585e2",
+        "2.2",
+        sha256="b3776d7b3a534ca626525a42b97665f7660ae2b28ea57b3f53fd7e8538da1ceb",
         preferred=True,
     )
+    version("2.1", sha256="f5b556aab130da0c423f395fe4c35d6bf509dd8fc958242f2e37ea788464aea9")
+    version("2.0", sha256="cb427d77f2c79423e969815b948a8b44da33a4370d1760e8c1e22a569f3585e2")
     version("1.2.2", sha256="dc24e85cc90ec656ed707eef3d511317ad800915014d9e4e9cf8818b406586d5")
     version("1.2.1", sha256="a2d7cae3a24546adcf1d1bf7f13f012170d359370f5b6b2c1730b19eb507601d")
     version("1.2", sha256="ed82ab91cbe17c00ef36578dbfcb4d1817d4c956619b7cccbea3e3f1a3b31940")
@@ -47,14 +51,10 @@ class Mgis(CMakePackage):
     variant("fortran", default=True, description="Enables fortran bindings")
     variant("python", default=True, description="Enables python bindings")
     variant("static", default=False, description="Enables static libraries")
-    variant(
-        "build_type",
-        default="Release",
-        description="The build type to build",
-        values=("Debug", "Release"),
-    )
 
     # dependencies
+    depends_on("tfel@4.2.0", when="@2.2")
+    depends_on("tfel@4.1.0", when="@2.1")
     depends_on("tfel@4.0.0", when="@2.0")
     depends_on("tfel@3.4.3", when="@1.2.2")
     depends_on("tfel@3.4.1", when="@1.2.1")
@@ -62,6 +62,9 @@ class Mgis(CMakePackage):
     depends_on("tfel@3.3.0", when="@1.1")
     depends_on("tfel@3.2.1", when="@1.0.1")
     depends_on("tfel@3.2.0", when="@1.0")
+    depends_on("tfel@rliv-4.2", when="@rliv-2.2")
+    depends_on("tfel@rliv-4.1", when="@rliv-2.1")
+    depends_on("tfel@rliv-4.0", when="@rliv-2.0")
     depends_on("tfel@rliv-3.4", when="@rliv-1.2")
     depends_on("tfel@rliv-3.3", when="@rliv-1.1")
     depends_on("tfel@rliv-3.2", when="@rliv-1.0")

var/spack/repos/builtin/packages/mochi-margo/package.py

@@ -17,6 +17,7 @@ class MochiMargo(AutotoolsPackage):
     maintainers("carns", "mdorier", "fbudin69500")
 
     version("main", branch="main")
+    version("0.15.0", sha256="f962f02ddaae125eaf15bf89126ee47b4f852d366b14248d2d67a0be8f661224")
     version("0.14.1", sha256="69229a9126b76aff7fd47e25c4a8f72804f101c5c603c4e4ef93f4fb7a1b6662")
     version("0.14.0", sha256="ff0e3fa786630b63280606243c35f1ea3a25fa2ba6f08bf9065cab9fcc7fa1c7")
     version("0.13.1", sha256="cff1decb94089cd0f9c0930b02092838679827b09ce4a2f3a359d59caee28782")

var/spack/repos/builtin/packages/mochi-thallium/package.py

@@ -16,6 +16,10 @@ class MochiThallium(CMakePackage):
     maintainers("mdorier")
 
     version("main", branch="main")
+    version("0.11.3", sha256="d1ffd7ee1ccbcfb00f246cb29c5bc2560e59f8808609cbc19b7098aa8fc903c4")
+    version("0.11.2", sha256="4f1e57ca843b7592525c179dec73bfb603a27fbda4feaf028d636e05c1b38e36")
+    version("0.11.1", sha256="be99bec2309ce1945a777fba720175f409972cbf27b73388728a740d6406a040")
+    version("0.11.0", sha256="c216310fdef9281e1c7e3264c148c560d7f5edd15816d35866efcc543185b7ee")
     version("0.10.1", sha256="5a8dc1f1622f4186b02fbabd47a8a33ca6be3d07757010f3d63d30e9f74fec8c")
     version("0.10.0", sha256="5319e25a42deab7c639e980885fe3be717cda2c2c693a1906f5a6c79b31edef8")
     version("0.9.1", sha256="dee884d0e054c838807f9c17781acfa99b26e3be1cc527bf09ceaa997336b3e4")
@@ -51,6 +55,7 @@ class MochiThallium(CMakePackage):
     )
 
     depends_on("pkgconfig", type=("build"))
+    depends_on("mochi-margo@0.12.0:", when="@0.11.2:")
     depends_on("mochi-margo@0.9.8:", when="@0.10.0:")
     depends_on("mochi-margo@0.7:", when="@0.7:")
     depends_on("mochi-margo@0.6:", when="@0.5:")