Spec.format: conditional format strings

* veccore: new variants umesimd and vc

* veccore: remove variant umesimd again

bin/spack.bat

@@ -51,65 +51,43 @@ setlocal enabledelayedexpansion
 :: subcommands will never start with '-'
 :: everything after the subcommand is an arg
 
-:: we cannot allow batch "for" loop to directly process CL args
-:: a number of batch reserved characters are commonly passed to
-:: spack and allowing batch's "for" method to process the raw inputs
-:: results in a large number of formatting issues
-:: instead, treat the entire CLI as one string
-:: and split by space manually
-:: capture cl args in variable named cl_args
-set cl_args=%*
+
 :process_cl_args
-rem  tokens=1* returns the first processed token produced
-rem  by tokenizing the input string cl_args on spaces into
-rem  the named variable %%g
-rem  While this make look like a for loop, it only
-rem  executes a single time for each of the cl args
-rem  the actual iterative loop is performed by the
-rem  goto process_cl_args stanza
-rem  we are simply leveraging the "for" method's string
-rem  tokenization
-for /f "tokens=1*" %%g in ("%cl_args%") do (
-    set t=%%~g
-    rem  remainder of string is composed into %%h
-    rem  these are the cl args yet to be processed
-    rem  assign cl_args var to only the args to be processed
-    rem  effectively discarding the current arg %%g
-    rem  this will be nul when we have no further tokens to process
-    set cl_args=%%h
-    rem  process the first space delineated cl arg
-    rem  of this iteration
-    if "!t:~0,1!" == "-" (
-        if defined _sp_subcommand (
-            rem  We already have a subcommand, processing args now
-            if not defined _sp_args (
-                set "_sp_args=!t!"
-            ) else (
-                set "_sp_args=!_sp_args! !t!"
-            )
-        ) else (
-            if not defined _sp_flags (
-                set "_sp_flags=!t!"
-                shift
-            ) else (
-                set "_sp_flags=!_sp_flags! !t!"
-                shift
-            )
-        )
-    ) else if not defined _sp_subcommand (
-        set "_sp_subcommand=!t!"
-        shift
-    ) else (
+rem Set first cl argument (denoted by %1) to be processed
+set t=%1
+rem shift moves all cl positional arguments left by one
+rem meaning %2 is now %1, this allows us to iterate over each
+rem argument
+shift
+rem assign next "first" cl argument to cl_args, will be null when
+rem there are now further arguments to process
+set cl_args=%1
+if "!t:~0,1!" == "-" (
+    if defined _sp_subcommand (
+        rem  We already have a subcommand, processing args now
         if not defined _sp_args (
             set "_sp_args=!t!"
-            shift
         ) else (
             set "_sp_args=!_sp_args! !t!"
-            shift
+        )
+    ) else (
+        if not defined _sp_flags (
+            set "_sp_flags=!t!"
+        ) else (
+            set "_sp_flags=!_sp_flags! !t!"
         )
     )
+) else if not defined _sp_subcommand (
+    set "_sp_subcommand=!t!"
+) else (
+    if not defined _sp_args (
+        set "_sp_args=!t!"
+    ) else (
+        set "_sp_args=!_sp_args! !t!"
+    )
 )
-rem  if this is not nil, we have more tokens to process
+
+rem  if this is not nu;ll, we have more tokens to process
 rem  start above process again with remaining unprocessed cl args
 if defined cl_args goto :process_cl_args
 

etc/spack/defaults/packages.yaml

@@ -60,7 +60,7 @@ packages:
       xxd: [xxd-standalone, vim]
       yacc: [bison, byacc]
       ziglang: [zig]
-      zlib-api: [zlib, zlib-ng+compat]
+      zlib-api: [zlib-ng+compat, zlib]
     permissions:
       read: world
       write: user

lib/spack/docs/requirements.txt

@@ -1,7 +1,7 @@
-sphinx==6.2.1
+sphinx==7.2.2
 sphinxcontrib-programoutput==0.17
 sphinx_design==0.5.0
-sphinx-rtd-theme==1.2.2
+sphinx-rtd-theme==1.3.0
 python-levenshtein==0.21.1
 docutils==0.18.1
 pygments==2.16.1
@@ -10,4 +10,4 @@ pytest==7.4.0
 isort==5.12.0
 black==23.7.0
 flake8==6.1.0
-mypy==1.5.0
+mypy==1.5.1

lib/spack/spack/build_environment.py

@@ -1027,7 +1027,7 @@ def get_cmake_prefix_path(pkg):
 
 
 def _setup_pkg_and_run(
-    serialized_pkg, function, kwargs, child_pipe, input_multiprocess_fd, jsfd1, jsfd2
+    serialized_pkg, function, kwargs, write_pipe, input_multiprocess_fd, jsfd1, jsfd2
 ):
     context = kwargs.get("context", "build")
 
@@ -1048,12 +1048,12 @@ def _setup_pkg_and_run(
                 pkg, dirty=kwargs.get("dirty", False), context=context
             )
         return_value = function(pkg, kwargs)
-        child_pipe.send(return_value)
+        write_pipe.send(return_value)
 
     except StopPhase as e:
         # Do not create a full ChildError from this, it's not an error
         # it's a control statement.
-        child_pipe.send(e)
+        write_pipe.send(e)
     except BaseException:
         # catch ANYTHING that goes wrong in the child process
         exc_type, exc, tb = sys.exc_info()
@@ -1102,10 +1102,10 @@ def _setup_pkg_and_run(
             context,
             package_context,
         )
-        child_pipe.send(ce)
+        write_pipe.send(ce)
 
     finally:
-        child_pipe.close()
+        write_pipe.close()
         if input_multiprocess_fd is not None:
             input_multiprocess_fd.close()
 
@@ -1149,7 +1149,7 @@ def child_fun():
     For more information on `multiprocessing` child process creation
     mechanisms, see https://docs.python.org/3/library/multiprocessing.html#contexts-and-start-methods
     """
-    parent_pipe, child_pipe = multiprocessing.Pipe()
+    read_pipe, write_pipe = multiprocessing.Pipe(duplex=False)
     input_multiprocess_fd = None
     jobserver_fd1 = None
     jobserver_fd2 = None
@@ -1174,7 +1174,7 @@ def child_fun():
                 serialized_pkg,
                 function,
                 kwargs,
-                child_pipe,
+                write_pipe,
                 input_multiprocess_fd,
                 jobserver_fd1,
                 jobserver_fd2,
@@ -1183,6 +1183,12 @@ def child_fun():
 
         p.start()
 
+        # We close the writable end of the pipe now to be sure that p is the
+        # only process which owns a handle for it. This ensures that when p
+        # closes its handle for the writable end, read_pipe.recv() will
+        # promptly report the readable end as being ready.
+        write_pipe.close()
+
     except InstallError as e:
         e.pkg = pkg
         raise
@@ -1192,7 +1198,16 @@ def child_fun():
         if input_multiprocess_fd is not None:
             input_multiprocess_fd.close()
 
-    child_result = parent_pipe.recv()
+    def exitcode_msg(p):
+        typ = "exit" if p.exitcode >= 0 else "signal"
+        return f"{typ} {abs(p.exitcode)}"
+
+    try:
+        child_result = read_pipe.recv()
+    except EOFError:
+        p.join()
+        raise InstallError(f"The process has stopped unexpectedly ({exitcode_msg(p)})")
+
     p.join()
 
     # If returns a StopPhase, raise it
@@ -1212,6 +1227,10 @@ def child_fun():
         child_result.print_context()
         raise child_result
 
+    # Fallback. Usually caught beforehand in EOFError above.
+    if p.exitcode != 0:
+        raise InstallError(f"The process failed unexpectedly ({exitcode_msg(p)})")
+
     return child_result
 
 

lib/spack/spack/solver/asp.py

@@ -267,12 +267,14 @@ def _id(thing):
 
 @llnl.util.lang.key_ordering
 class AspFunction(AspObject):
+    __slots__ = ["name", "args"]
+
     def __init__(self, name, args=None):
         self.name = name
         self.args = () if args is None else tuple(args)
 
     def _cmp_key(self):
-        return (self.name, self.args)
+        return self.name, self.args
 
     def __call__(self, *args):
         """Return a new instance of this function with added arguments.
@@ -731,7 +733,9 @@ def fact(self, head):
         """
         symbol = head.symbol() if hasattr(head, "symbol") else head
 
-        self.out.write("%s.\n" % str(symbol))
+        # This is commented out to avoid evaluating str(symbol) when we have no stream
+        if not isinstance(self.out, llnl.util.lang.Devnull):
+            self.out.write(f"{str(symbol)}.\n")
 
         atom = self.backend.add_atom(symbol)
 
@@ -1363,26 +1367,29 @@ def condition(self, required_spec, imposed_spec=None, name=None, msg=None, node=
         self.gen.fact(fn.condition_reason(condition_id, msg))
 
         cache = self._trigger_cache[named_cond.name]
-        if named_cond not in cache:
+
+        named_cond_key = str(named_cond)
+        if named_cond_key not in cache:
             trigger_id = next(self._trigger_id_counter)
             requirements = self.spec_clauses(named_cond, body=True, required_from=name)
-            cache[named_cond] = (trigger_id, requirements)
-        trigger_id, requirements = cache[named_cond]
+            cache[named_cond_key] = (trigger_id, requirements)
+        trigger_id, requirements = cache[named_cond_key]
         self.gen.fact(fn.pkg_fact(named_cond.name, fn.condition_trigger(condition_id, trigger_id)))
 
         if not imposed_spec:
             return condition_id
 
         cache = self._effect_cache[named_cond.name]
-        if imposed_spec not in cache:
+        imposed_spec_key = str(imposed_spec)
+        if imposed_spec_key not in cache:
             effect_id = next(self._effect_id_counter)
             requirements = self.spec_clauses(imposed_spec, body=False, required_from=name)
             if not node:
                 requirements = list(
                     filter(lambda x: x.args[0] not in ("node", "virtual_node"), requirements)
                 )
-            cache[imposed_spec] = (effect_id, requirements)
-        effect_id, requirements = cache[imposed_spec]
+            cache[imposed_spec_key] = (effect_id, requirements)
+        effect_id, requirements = cache[imposed_spec_key]
         self.gen.fact(fn.pkg_fact(named_cond.name, fn.condition_effect(condition_id, effect_id)))
         return condition_id
 

lib/spack/spack/spec.py

@@ -4307,6 +4307,19 @@ def format(self, format_string=default_format, **kwargs):
         ``\{`` and ``\}`` for literal braces, and ``\\`` for the
         literal ``\`` character.
 
+        The ``?`` sigil may be used to conditionally add a
+        value. Conditional format values are used if constructing the
+        value would not throw any error, and are ignored if it would
+        throw an error. For example, ``{?^mpi.name}`` will print
+        ``Spec["mpi"].name`` if such a node exists, and otherwise
+        prints nothing.
+
+        The ``?`` sigil may also be combined with a conditional
+        separator. This separator is prepended if anything is printed
+        for the conditional attribute. The syntax for this is
+        ``?sep?attribute``,
+        e.g. ``{name}-{version}{?/?^mpi.name}{?-?^mpi.version}``.
+
         Args:
             format_string (str): string containing the format to be expanded
 
@@ -4330,6 +4343,15 @@ def write(s, c=None):
         def write_attribute(spec, attribute, color):
             attribute = attribute.lower()
 
+            conditional = False
+            conditional_sep = ""
+            matches_conditional_sep = re.match(r"^\?(.*)\?", attribute)
+            if matches_conditional_sep:
+                conditional = True
+                conditional_sep = matches_conditional_sep.group(1)
+            if attribute.startswith("?"):
+                conditional = True
+
             sig = ""
             if attribute.startswith(("@", "%", "/")):
                 # color sigils that are inside braces
@@ -4361,6 +4383,9 @@ def write_attribute(spec, attribute, color):
             elif sig == " arch=" and attribute not in ("architecture", "arch"):
                 raise SpecFormatSigilError(sig, "the architecture", attribute)
 
+            # Now that we're done testing sig, combine it with conditional sep
+            sig = conditional_sep + sig
+
             # find the morph function for our attribute
             morph = transform.get(attribute, lambda s, x: x)
 
@@ -4390,7 +4415,12 @@ def write_attribute(spec, attribute, color):
                 else:
                     if isinstance(current, vt.VariantMap):
                         # subscript instead of getattr for variant names
-                        current = current[part]
+                        try:
+                            current = current[part]
+                        except KeyError:
+                            if conditional:
+                                return
+                            raise
                     else:
                         # aliases
                         if part == "arch":
@@ -4406,6 +4436,8 @@ def write_attribute(spec, attribute, color):
                         try:
                             current = getattr(current, part)
                         except AttributeError:
+                            if conditional:
+                                return
                             parent = ".".join(parts[:idx])
                             m = "Attempted to format attribute %s." % attribute
                             m += "Spec %s has no attribute %s" % (parent, part)

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

@@ -40,6 +40,7 @@ class Amdblis(BlisBase):
     version("2.2", sha256="e1feb60ac919cf6d233c43c424f6a8a11eab2c62c2c6e3f2652c15ee9063c0c9")
 
     variant("ilp64", default=False, when="@3.0.1:", description="ILP64 support")
+    variant("suphandling", default=True, description="Small Unpacked Kernel handling")
 
     def configure_args(self):
         spec = self.spec
@@ -48,6 +49,11 @@ def configure_args(self):
         if spec.satisfies("+ilp64"):
             args.append("--blas-int-size=64")
 
+        if spec.satisfies("+suphandling"):
+            args.append("--enable-sup-handling")
+        else:
+            args.append("--disable-sup-handling")
+
         # To enable Fortran to C calling convention for
         # complex types when compiling with aocc flang
         if self.spec.satisfies("@3.0 %aocc"):

var/spack/repos/builtin/packages/aws-sdk-cpp/package.py

@@ -18,7 +18,10 @@ class AwsSdkCpp(CMakePackage):
     homepage = "https://github.com/aws/aws-sdk-cpp"
     git = "https://github.com/aws/aws-sdk-cpp.git"
 
+    version("1.11.144", tag="1.11.144", submodules=True)
+    version("1.10.57", tag="1.10.57", submodules=True)
     version("1.10.32", tag="1.10.32", submodules=True)
+    version("1.9.379", tag="1.9.379", submodules=True)
     version("1.9.247", tag="1.9.247", submodules=True)
 
     depends_on("cmake@3.1:", type="build")
@@ -31,3 +34,6 @@ class AwsSdkCpp(CMakePackage):
         sha256="ba86e0556322604fb4b70e2dd4f4fb874701868b07353fc1d5c329d90777bf45",
         when="@1.9.247",
     )
+
+    def cmake_args(self):
+        return [self.define("BUILD_ONLY", ("s3", "transfer"))]

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

@@ -9,11 +9,16 @@
 class Bats(Package):
     """Bats is a TAP-compliant testing framework for Bash."""
 
-    homepage = "https://github.com/sstephenson/bats"
-    url = "https://github.com/sstephenson/bats/archive/v0.4.0.tar.gz"
+    homepage = "https://github.com/bats-core/bats-core"
+    url = "https://github.com/bats-core/bats-core/archive/refs/tags/v1.10.0.tar.gz"
 
-    version("0.4.0", sha256="480d8d64f1681eee78d1002527f3f06e1ac01e173b761bc73d0cf33f4dc1d8d7")
+    version("1.10.0", sha256="a1a9f7875aa4b6a9480ca384d5865f1ccf1b0b1faead6b47aa47d79709a5c5fd")
+    version(
+        "0.4.0",
+        sha256="480d8d64f1681eee78d1002527f3f06e1ac01e173b761bc73d0cf33f4dc1d8d7",
+        url="https://github.com/sstephenson/bats/archive/v0.4.0.tar.gz",
+    )
 
     def install(self, spec, prefix):
         bash = which("bash")
-        bash("install.sh", prefix)
+        bash("./install.sh", prefix)

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

@@ -431,6 +431,12 @@ def url_for_version(self, version):
 
         return url.format(version.dotted, version.underscored)
 
+    def flag_handler(self, name, flags):
+        if name == "cxxflags":
+            if self.spec.satisfies("@1.79.0 %oneapi"):
+                flags.append("-Wno-error=enum-constexpr-conversion")
+        return (flags, None, None)
+
     def determine_toolset(self, spec):
         toolsets = {
             "g++": "gcc",

var/spack/repos/builtin/packages/c-blosc2/package.py

@@ -11,13 +11,15 @@ class CBlosc2(CMakePackage):
     other bells and whistles"""
 
     homepage = "https://www.blosc.org/"
-    url = "https://github.com/Blosc/c-blosc2/archive/refs/tags/v2.10.1.tar.gz"
+    url = "https://github.com/Blosc/c-blosc2/archive/refs/tags/v2.10.2.tar.gz"
     git = "https://github.com/Blosc/c-blosc2.git"
 
     maintainers("ax3l", "robert-mijakovic")
 
     version("develop", branch="master")
     # 2.10.1+ adds Blosc2 CMake CONFIG files
+    # 2.10.2+ fixes regressions with external dependencies
+    version("2.10.2", sha256="069785bc14c006c7dab40ea0c620bdf3eb8752663fd55c706d145bceabc2a31d")
     version("2.10.1", sha256="1dd65be2d76eee205c06e8812cc1360448620eee5e368b25ade4ea310654cd01")
     version("2.10.0", sha256="cb7f7c0c62af78982140ecff21a2f3ca9ce6a0a1c02e314fcdce1a98da0fe231")
     version("2.9.3", sha256="1f36b7d79d973505582b9a804803b640dcc0425af3d5e676070847ac4eb38176")

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

@@ -20,6 +20,11 @@ class Cdo(AutotoolsPackage):
 
     maintainers("skosukhin", "Try2Code")
 
+    version(
+        "2.2.2",
+        sha256="419c77315244019af41a296c05066f474cccbf94debfaae9e2106da51bc7c937",
+        url="https://code.mpimet.mpg.de/attachments/download/28882/cdo-2.2.2.tar.gz",
+    )
     version(
         "2.2.0",
         sha256="679c8d105706caffcba0960ec5ddc4a1332c1b40c52f82c3937356999d8fadf2",
@@ -167,13 +172,14 @@ class Cdo(AutotoolsPackage):
     # We also need the backend of netcdf to be thread safe.
     depends_on("hdf5+threadsafe", when="+netcdf")
 
+    # Same in case hdf5 is used in the frontend
+    depends_on("hdf5+threadsafe", when="+hdf5")
+
     depends_on("grib-api", when="grib2=grib-api")
     depends_on("eccodes", when="grib2=eccodes")
 
     depends_on("szip", when="+szip")
 
-    depends_on("hdf5+threadsafe", when="+hdf5")
-
     depends_on("udunits", when="+udunits2")
     depends_on("libxml2", when="+libxml2")
     depends_on("proj@:5", when="@:1.9.6+proj")

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

@@ -14,12 +14,16 @@ class Cepgen(CMakePackage):
 
     tags = ["hep"]
 
+    version("1.1.0", sha256="2a4eaed161f007269516cbfb6e90421e657ab1922d4509de0165f08dde91bf3d")
     version(
         "1.0.2patch1", sha256="333bba0cb1965a98dec127e00c150eab1a515cd348a90f7b1d66d5cd8d206d21"
     )
 
     generator("ninja")
 
+    depends_on("cmake@3.5:", type="build", when="@1.0:")
+    depends_on("cmake@3.20:", type="build", when="@1.1:")
+
     depends_on("gsl")
     depends_on("openblas")
     depends_on("hepmc")

var/spack/repos/builtin/packages/clingo-bootstrap/mimalloc-pre-5.5.0.patch

@@ -0,0 +1,39 @@
+diff --git a/CMakeLists.txt b/CMakeLists.txt
+index f11e6e2..209970b 100644
+--- a/CMakeLists.txt
++++ b/CMakeLists.txt
+@@ -164,6 +164,7 @@ if (CLINGO_BUILD_WITH_LUA)
+         set_property(TARGET Lua::Lua PROPERTY INTERFACE_INCLUDE_DIRECTORIES "${LUA_INCLUDE_DIR}")
+     endif()
+ endif()
++find_package(mimalloc REQUIRED)
+ find_package(BISON "2.5")
+ find_package(RE2C "0.13")
+ if (PYCLINGO_USE_CFFI AND Python_Development_FOUND)
+diff --git a/libclingo/CMakeLists.txt b/libclingo/CMakeLists.txt
+index 83acc22..51d5762 100644
+--- a/libclingo/CMakeLists.txt
++++ b/libclingo/CMakeLists.txt
+@@ -50,7 +50,7 @@ else()
+ endif()
+ 
+ add_library(libclingo ${clingo_lib_type} ${header} ${source})
+-target_link_libraries(libclingo PRIVATE libgringo libclasp)
++target_link_libraries(libclingo PRIVATE mimalloc-static libgringo libclasp)
+ target_include_directories(libclingo
+     PUBLIC
+     "$<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}>"
+diff --git a/libclingo/src/clingo_app.cc b/libclingo/src/clingo_app.cc
+index 3e4d14c..fcfc9ea 100644
+--- a/libclingo/src/clingo_app.cc
++++ b/libclingo/src/clingo_app.cc
+@@ -27,6 +27,9 @@
+ #include <clasp/parser.h>
+ #include <climits>
+ 
++#include <mimalloc-new-delete.h>
++
++
+ namespace Gringo {
+ 
+ // {{{ declaration of ClingoApp

var/spack/repos/builtin/packages/clingo-bootstrap/mimalloc.patch

@@ -0,0 +1,39 @@
+diff --git a/CMakeLists.txt b/CMakeLists.txt
+index 7fbe16bc..78539519 100644
+--- a/CMakeLists.txt
++++ b/CMakeLists.txt
+@@ -224,6 +224,7 @@ if (CLINGO_BUILD_WITH_LUA)
+         set_property(TARGET Lua::Lua PROPERTY INTERFACE_INCLUDE_DIRECTORIES "${LUA_INCLUDE_DIR}")
+     endif()
+ endif()
++find_package(mimalloc REQUIRED)
+ find_package(BISON "2.5")
+ find_package(RE2C "0.101")
+ if (Python_Development_FOUND)
+diff --git a/libclingo/CMakeLists.txt b/libclingo/CMakeLists.txt
+index 1d70ba56..de2f2766 100644
+--- a/libclingo/CMakeLists.txt
++++ b/libclingo/CMakeLists.txt
+@@ -51,7 +51,7 @@ endif()
+ 
+ add_library(libclingo ${clingo_lib_type})
+ target_sources(libclingo ${clingo_private_scope_} ${header} ${source})
+-target_link_libraries(libclingo ${clingo_private_scope_} libgringo libclasp)
++target_link_libraries(libclingo ${clingo_private_scope_} mimalloc-static libgringo libclasp)
+ target_include_directories(libclingo
+     ${clingo_public_scope_}
+     "$<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}>"
+diff --git a/libclingo/src/clingo_app.cc b/libclingo/src/clingo_app.cc
+index 13980efa..3c3b404b 100644
+--- a/libclingo/src/clingo_app.cc
++++ b/libclingo/src/clingo_app.cc
+@@ -26,6 +26,9 @@
+ #include <clasp/parser.h>
+ #include <climits>
+ 
++#include <mimalloc-new-delete.h>
++
++
+ namespace Gringo {
+ 
+ // {{{ declaration of ClingoApp

var/spack/repos/builtin/packages/clingo-bootstrap/package.py

@@ -2,8 +2,15 @@
 # Spack Project Developers. See the top-level COPYRIGHT file for details.
 #
 # SPDX-License-Identifier: (Apache-2.0 OR MIT)
+import glob
+import os
+
+import spack.compilers
+import spack.paths
+import spack.user_environment
 from spack.package import *
 from spack.pkg.builtin.clingo import Clingo
+from spack.util.environment import EnvironmentModifications
 
 
 class ClingoBootstrap(Clingo):
@@ -13,24 +20,51 @@ class ClingoBootstrap(Clingo):
 
     variant("build_type", default="Release", values=("Release",), description="CMake build type")
 
-    variant("static_libstdcpp", default=False, description="Require a static version of libstdc++")
+    variant(
+        "static_libstdcpp",
+        default=False,
+        when="platform=linux",
+        description="Require a static version of libstdc++",
+    )
+
+    variant(
+        "optimized",
+        default=False,
+        description="Enable a series of Spack-specific optimizations (PGO, LTO, mimalloc)",
+    )
+
+    # Enable LTO
+    conflicts("~ipo", when="+optimized")
+
+    with when("+optimized platform=linux"):
+        # Statically linked. Don't use ~override so we don't duplicate malloc/free, they
+        # get resolved to Python's libc's malloc in our case anyway.
+        depends_on("mimalloc +ipo libs=static ~override", type="build")
+        conflicts("~static_libstdcpp", msg="Custom allocator requires static libstdc++")
+        # Override new/delete with mimalloc.
+        patch("mimalloc.patch", when="@5.5.0:")
+        patch("mimalloc-pre-5.5.0.patch", when="@:5.4")
+        # ensure we hide libstdc++ with custom operator new/delete symbols
+        patch("version-script.patch")
 
     # CMake at version 3.16.0 or higher has the possibility to force the
     # Python interpreter, which is crucial to build against external Python
     # in environment where more than one interpreter is in the same prefix
     depends_on("cmake@3.16.0:", type="build")
 
-    # On Linux we bootstrap with GCC
-    for compiler_spec in [c for c in spack.compilers.supported_compilers() if c != "gcc"]:
+    # On Linux we bootstrap with GCC or clang
+    for compiler_spec in [
+        c for c in spack.compilers.supported_compilers() if c not in ("gcc", "clang")
+    ]:
         conflicts(
             "%{0}".format(compiler_spec),
             when="platform=linux",
-            msg="GCC is required to bootstrap clingo on Linux",
+            msg="GCC or clang are required to bootstrap clingo on Linux",
         )
         conflicts(
             "%{0}".format(compiler_spec),
             when="platform=cray",
-            msg="GCC is required to bootstrap clingo on Cray",
+            msg="GCC or clang are required to bootstrap clingo on Cray",
         )
     conflicts("%gcc@:5", msg="C++14 support is required to bootstrap clingo")
 
@@ -51,28 +85,70 @@ def cmake_py_shared(self):
 
     def cmake_args(self):
         args = super().cmake_args()
-        args.extend(
-            [
-                # Avoid building the clingo executable
-                self.define("CLINGO_BUILD_APPS", "OFF")
-            ]
-        )
+        args.append(self.define("CLINGO_BUILD_APPS", False))
         return args
 
-    def setup_build_environment(self, env):
-        opts = None
-        if "%apple-clang platform=darwin" in self.spec:
-            opts = "-mmacosx-version-min=10.13"
-        elif "%gcc" in self.spec:
-            if "+static_libstdcpp" in self.spec:
-                # This is either linux or cray
-                opts = "-static-libstdc++ -static-libgcc -Wl,--exclude-libs,ALL"
-        elif "platform=windows" in self.spec:
-            pass
-        else:
-            msg = 'unexpected compiler for spec "{0}"'.format(self.spec)
-            raise RuntimeError(msg)
+    @run_before("cmake", when="+optimized")
+    def pgo_train(self):
+        if self.spec.compiler.name == "clang":
+            llvm_profdata = which("llvm-profdata", required=True)
+        elif self.spec.compiler.name == "apple-clang":
+            llvm_profdata = Executable(
+                Executable("xcrun")("-find", "llvm-profdata", output=str).strip()
+            )
 
-        if opts:
-            env.set("CXXFLAGS", opts)
-            env.set("LDFLAGS", opts)
+        # First configure with PGO flags, and do build apps.
+        reports = os.path.abspath("reports")
+        sources = os.path.abspath(self.root_cmakelists_dir)
+        cmake_options = self.std_cmake_args + self.cmake_args() + [sources]
+
+        # Set PGO training flags.
+        generate_mods = EnvironmentModifications()
+        generate_mods.append_flags("CFLAGS", "-fprofile-generate={}".format(reports))
+        generate_mods.append_flags("CXXFLAGS", "-fprofile-generate={}".format(reports))
+        generate_mods.append_flags("LDFLAGS", "-fprofile-generate={} --verbose".format(reports))
+
+        with working_dir(self.build_directory, create=True):
+            cmake(*cmake_options, sources, extra_env=generate_mods)
+            make()
+            make("install")
+
+        # Clean the reports dir.
+        rmtree(reports, ignore_errors=True)
+
+        # Run spack solve --fresh hdf5 with instrumented clingo.
+        python_runtime_env = EnvironmentModifications()
+        for s in self.spec.traverse(deptype=("run", "link"), order="post"):
+            python_runtime_env.extend(spack.user_environment.environment_modifications_for_spec(s))
+        python_runtime_env.unset("SPACK_ENV")
+        python_runtime_env.unset("SPACK_PYTHON")
+        self.spec["python"].command(
+            spack.paths.spack_script, "solve", "--fresh", "hdf5", extra_env=python_runtime_env
+        )
+
+        # Clean the build dir.
+        rmtree(self.build_directory, ignore_errors=True)
+
+        if self.spec.compiler.name in ("clang", "apple-clang"):
+            # merge reports
+            use_report = join_path(reports, "merged.prof")
+            raw_files = glob.glob(join_path(reports, "*.profraw"))
+            llvm_profdata("merge", "--output={}".format(use_report), *raw_files)
+            use_flag = "-fprofile-instr-use={}".format(use_report)
+        else:
+            use_flag = "-fprofile-use={}".format(reports)
+
+        # Set PGO use flags for next cmake phase.
+        use_mods = EnvironmentModifications()
+        use_mods.append_flags("CFLAGS", use_flag)
+        use_mods.append_flags("CXXFLAGS", use_flag)
+        use_mods.append_flags("LDFLAGS", use_flag)
+        cmake.add_default_envmod(use_mods)
+
+    def setup_build_environment(self, env):
+        if "%apple-clang" in self.spec:
+            env.append_flags("CFLAGS", "-mmacosx-version-min=10.13")
+            env.append_flags("CXXFLAGS", "-mmacosx-version-min=10.13")
+            env.append_flags("LDFLAGS", "-mmacosx-version-min=10.13")
+        elif self.spec.compiler.name in ("gcc", "clang") and "+static_libstdcpp" in self.spec:
+            env.append_flags("LDFLAGS", "-static-libstdc++ -static-libgcc -Wl,--exclude-libs,ALL")

var/spack/repos/builtin/packages/clingo-bootstrap/version-script.patch

@@ -0,0 +1,48 @@
+From 59859b8896e527bbd4a727beb798776d2716a8b3 Mon Sep 17 00:00:00 2001
+From: Harmen Stoppels <me@harmenstoppels.nl>
+Date: Thu, 10 Aug 2023 18:53:17 +0200
+Subject: [PATCH] version script
+
+---
+ libclingo/CMakeLists.txt | 12 ++++++++++++
+ libclingo/clingo.map     |  4 ++++
+ 2 files changed, 16 insertions(+)
+ create mode 100644 libclingo/clingo.map
+
+diff --git a/libclingo/CMakeLists.txt b/libclingo/CMakeLists.txt
+index 1d70ba56..0fd3bf49 100644
+--- a/libclingo/CMakeLists.txt
++++ b/libclingo/CMakeLists.txt
+@@ -58,6 +58,18 @@ target_include_directories(libclingo
+     "$<INSTALL_INTERFACE:${CMAKE_INSTALL_INCLUDEDIR}>")
+ target_compile_definitions(libclingo ${clingo_private_scope_} CLINGO_BUILD_LIBRARY)
+ 
++# Hide private symbols on Linux.
++include(CheckCSourceCompiles)
++file(WRITE "${CMAKE_CURRENT_BINARY_DIR}/version.map" "{ global: f; local: *;};")
++set(CMAKE_REQUIRED_FLAGS_SAVE ${CMAKE_REQUIRED_FLAGS})
++set(CMAKE_REQUIRED_FLAGS ${CMAKE_REQUIRED_FLAGS} "-Wl,--version-script='${CMAKE_CURRENT_BINARY_DIR}/version.map'")
++check_c_source_compiles("void f(void) {} int main(void) {return 0;}" HAVE_LD_VERSION_SCRIPT)
++set(CMAKE_REQUIRED_FLAGS ${CMAKE_REQUIRED_FLAGS_SAVE})
++file(REMOVE "${CMAKE_CURRENT_BINARY_DIR}/version.map")
++if(HAVE_LD_VERSION_SCRIPT)
++set_target_properties(libclingo PROPERTIES LINK_FLAGS "-Wl,--version-script='${CMAKE_CURRENT_SOURCE_DIR}/clingo.map'")
++endif()
++
+ if (NOT CLINGO_BUILD_SHARED)
+     target_compile_definitions(libclingo PUBLIC CLINGO_NO_VISIBILITY)
+ endif()
+diff --git a/libclingo/clingo.map b/libclingo/clingo.map
+new file mode 100644
+index 00000000..a665456c
+--- /dev/null
++++ b/libclingo/clingo.map
+@@ -0,0 +1,4 @@
++{
++    global: clingo_*; gringo_*; g_clingo_*;
++    local: *;
++};
+\ No newline at end of file
+-- 
+2.39.2
+

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

@@ -120,6 +120,11 @@ def cmake_args(self):
         else:
             args += ["-DCLINGO_BUILD_WITH_PYTHON=OFF"]
 
+        # Use LTO also for non-Intel compilers please. This can be removed when they
+        # bump cmake_minimum_required to VERSION 3.9.
+        if "+ipo" in self.spec:
+            args.append("-DCMAKE_POLICY_DEFAULT_CMP0069=NEW")
+
         return args
 
     def win_add_library_dependent(self):

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

@@ -33,6 +33,7 @@ class Cp2k(MakefilePackage, CudaPackage, CMakePackage, ROCmPackage):
 
     maintainers("dev-zero", "mtaillefumier")
 
+    version("2023.2", sha256="adbcc903c1a78cba98f49fe6905a62b49f12e3dfd7cedea00616d1a5f50550db")
     version("2023.1", sha256="dff343b4a80c3a79363b805429bdb3320d3e1db48e0ff7d20a3dfd1c946a51ce")
     version("2022.2", sha256="1a473dea512fe264bb45419f83de432d441f90404f829d89cbc3a03f723b8354")
     version("2022.1", sha256="2c34f1a7972973c62d471cd35856f444f11ab22f2ff930f6ead20f3454fd228b")
@@ -180,6 +181,11 @@ class Cp2k(MakefilePackage, CudaPackage, CMakePackage, ROCmPackage):
         depends_on("libxc@5.1.3:5.1", when="@8.2:8")
         depends_on("libxc@5.1.7:5.1", when="@9:2022.2")
         depends_on("libxc@6.1:", when="@2023.1:")
+        depends_on("libxc@6.2:", when="@2023.2:")
+
+    with when("+spla"):
+        depends_on("spla+cuda+fortran", when="+cuda")
+        depends_on("spla+rocm+fortran", when="+rocm")
 
     with when("+mpi"):
         depends_on("mpi@2:")
@@ -191,6 +197,7 @@ class Cp2k(MakefilePackage, CudaPackage, CMakePackage, ROCmPackage):
         depends_on("cosma@2.5.1:", when="@9:")
         depends_on("cosma@2.6.3:", when="@master:")
         depends_on("cosma+cuda", when="+cuda")
+        depends_on("cosma+rocm", when="+rocm")
         conflicts("~mpi")
         # COSMA support was introduced in 8+
         conflicts("@:7")
@@ -201,6 +208,7 @@ class Cp2k(MakefilePackage, CudaPackage, CMakePackage, ROCmPackage):
         depends_on("elpa~openmp", when="~openmp")
         depends_on("elpa@2021.05:", when="@8.3:")
         depends_on("elpa@2021.11.001:", when="@9.1:")
+        depends_on("elpa@2023.05.001:", when="@2023.2:")
 
     with when("+plumed"):
         depends_on("plumed+shared")
@@ -219,6 +227,8 @@ class Cp2k(MakefilePackage, CudaPackage, CMakePackage, ROCmPackage):
     # a consistent/compatible combination is pulled into the dependency graph.
     with when("+sirius"):
         depends_on("sirius+fortran+shared")
+        depends_on("sirius+cuda", when="+cuda")
+        depends_on("sirius+rocm", when="+rocm")
         depends_on("sirius+openmp", when="+openmp")
         depends_on("sirius~openmp", when="~openmp")
         depends_on("sirius@:6", when="@:7")
@@ -865,16 +875,20 @@ def cmake_args(self):
                 raise InstallError("CP2K supports only one cuda_arch at a time.")
             else:
                 gpu_ver = gpu_map[spec.variants["cuda_arch"].value[0]]
-                args += ["-DCP2K_USE_ACCEL=CUDA"]
-                args += [self.define("CP2K_WITH_GPU", gpu_ver)]
+                args += [
+                    self.define("CP2K_USE_ACCEL", "CUDA"),
+                    self.define("CP2K_WITH_GPU", gpu_ver),
+                ]
 
         if "+rocm" in spec:
             if len(spec.variants["amdgpu_target"].value) > 1:
                 raise InstallError("CP2K supports only one amdgpu_target at a time.")
             else:
                 gpu_ver = gpu_map[spec.variants["amdgpu_target"].value[0]]
-                args += ["-DCP2K_USE_ACCEL=HIP"]
-                args += [self.define("CP2K_WITH_GPU", gpu_ver)]
+                args += [
+                    self.define("CP2K_USE_ACCEL", "HIP"),
+                    self.define("CP2K_WITH_GPU", gpu_ver),
+                ]
 
         args += [
             self.define_from_variant("CP2K_ENABLE_REGTESTS", "enable_regtests"),

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

@@ -27,6 +27,7 @@ class Fortrilinos(CMakePackage):
     tags = ["e4s"]
     test_requires_compiler = True
 
+    version("2.3.0", sha256="7be5efecaea61ad773d3fe182aa28735ebc3e7af821e1805ad284e4ed4e31a49")
     version("2.2.0", sha256="9e73fc71066bfaf7cde040e1467baf7a1ec797ff2874add49f9741e93f9fffb5")
     version("2.1.0", sha256="2c62bb6106ae86a804497d549080cb6877c5d860b6bf2e72ec5cbcbbe63e3b5b")
     version("2.0.1", sha256="291a62c885cd4ffd76cbebafa02789649bd4fa73f1005cf8da51fd153acb9e1a")
@@ -50,9 +51,10 @@ class Fortrilinos(CMakePackage):
     variant("shared", default=True, description="Build shared libraries")
 
     # Trilinos version dependencies
-    depends_on("trilinos@13.4.0:13.4", when="@2.2.0:2.2")
-    depends_on("trilinos@13.2.0:13.2", when="@2.1.0:2.1")
-    depends_on("trilinos@13.0.0:13.2", when="@2.0.0:2.0")
+    depends_on("trilinos@14.0", when="@2.3")
+    depends_on("trilinos@13.4", when="@2.2")
+    depends_on("trilinos@13.2", when="@2.1.0:2.1")
+    depends_on("trilinos@13:13.2", when="@2.0")
     depends_on("trilinos@12.18.1", when="@2.0.dev3")
     depends_on("trilinos@12.18.1", when="@2.0.dev2")
 

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

@@ -107,6 +107,12 @@ class Gmsh(CMakePackage):
     conflicts("+oce", when="^gmsh@4.10:4.10.3")
     conflicts("+metis", when="+external", msg="External Metis cannot build with GMSH")
 
+    def flag_handler(self, name, flags):
+        if name == "cflags":
+            if self.spec.satisfies("%oneapi"):
+                flags.append("-Wno-error=implicit-function-declaration")
+        return (flags, None, None)
+
     def cmake_args(self):
         spec = self.spec
 

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

@@ -15,6 +15,9 @@ class Less(AutotoolsPackage):
     url = "https://www.greenwoodsoftware.com/less/less-551.zip"
     list_url = "https://www.greenwoodsoftware.com/less/download.html"
 
+    depends_on("ncurses")
+
+    version("643", sha256="3bb417c4b909dfcb0adafc371ab87f0b22e8b15f463ec299d156c495fc9aa196")
     version("590", sha256="69056021c365b16504cf5bd3864436a5e50cb2f98b76cd68b99b457064139375")
     version("551", sha256="2630db16ef188e88b513b3cc24daa9a798c45643cc7da06e549c9c00cfd84244")
     version("530", sha256="8c1652ba88a726314aa2616d1c896ca8fe9a30253a5a67bc21d444e79a6c6bc3")

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

@@ -13,6 +13,9 @@ class Libxc(AutotoolsPackage, CudaPackage):
     homepage = "https://tddft.org/programs/libxc/"
     url = "https://gitlab.com/libxc/libxc/-/archive/6.1.0/libxc-6.1.0.tar.gz"
 
+    version("6.2.2", sha256="3b0523924579cf494cafc6fea92945257f35692b004217d3dfd3ea7ca780e8dc")
+    version("6.2.1", sha256="b5f3b4514db6bc4ccda1da90ac6176ea1f82e12241cc66427c58cbc4a5197b9b")
+    version("6.2.0", sha256="3d25878782b5f94e7e4d41bd6de27f98983584cd0be0c65e69a9ada986b56b4d")
     version("6.1.0", sha256="f593745fa47ebfb9ddc467aaafdc2fa1275f0d7250c692ce9761389a90dd8eaf")
     version("6.0.0", sha256="0c774e8e195dd92800b9adf3df5f5721e29acfe9af4b191a9937c7de4f9aa9f6")
     version("5.2.3", sha256="7b7a96d8eeb472c7b8cca7ac38eae27e0a8113ef44dae5359b0eb12592b4bcf2")

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

@@ -115,4 +115,9 @@ def cmake_args(self):
             for lib in self.libs_values
         ]
         args += [self.define_from_variant("MI_%s" % k.upper(), k) for k in self.mimalloc_options]
+
+        # Use LTO also for non-Intel compilers please. This can be removed when they
+        # bump cmake_minimum_required to VERSION 3.9.
+        if "+ipo" in self.spec:
+            args.append("-DCMAKE_POLICY_DEFAULT_CMP0069=NEW")
         return args

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

@@ -18,12 +18,16 @@ class Moab(AutotoolsPackage):
 
     homepage = "https://bitbucket.org/fathomteam/moab"
     git = "https://bitbucket.org/fathomteam/moab.git"
-    url = "https://ftp.mcs.anl.gov/pub/fathom/moab-5.0.0.tar.gz"
+    url = "https://ftp.mcs.anl.gov/pub/fathom/moab-5.5.0.tar.gz"
 
     maintainers("vijaysm", "iulian787")
 
     version("develop", branch="develop")
     version("master", branch="master")
+    version("5.5.0", sha256="58969f8a1b209ec9036c08c53a6b7078b368eb3bf99d0368a4de5a2f2a8db678")
+    version("5.4.1", sha256="3625e25321bf37f88d98438f5d56c280b2774172602d8b6eb6c34eedf37686fc")
+    version("5.4.0", sha256="a30d2a1911fbf214ae0175b0856e0475c0077dc51ea5914c850d631155a72952")
+    version("5.3.1", sha256="2404fab2d84f87be72b57cfef5ea237bfa444aaca059e66a158f22134956fe54")
     version("5.3.0", sha256="51c31ccbcaa76d9658a44452b9a39f076b795b27a1c9f408fc3d0eea97e032ef")
     version("5.2.1", sha256="60d31762be3f0e5c89416c764e844ec88dac294169b59a5ead3c316b50f85c29")
     version("5.2.0", sha256="805ed3546deff39e076be4d1f68aba1cf0dda8c34ce43e1fc179d1aff57c5d5d")
@@ -36,22 +40,23 @@ class Moab(AutotoolsPackage):
     version("4.9.0", sha256="267a7c05da847e4ea856db2c649a5484fb7bdc132ab56721ca50ee69a7389f4d")
     version("4.8.2", sha256="b105cff42930058dc14eabb9a25e979df7289b175732fe319d2494e83e09e968")
 
-    variant("mpi", default=True, description="enable mpi support")
-    variant("hdf5", default=True, description="Required to enable the hdf5 (default I/O) format")
-    variant("netcdf", default=False, description="Required to enable the ExodusII reader/writer.")
-    variant("pnetcdf", default=False, description="Enable pnetcdf (AKA parallel-netcdf) support")
-    variant("zoltan", default=False, description="Enable zoltan support")
-    variant("cgm", default=False, description="Enable common geometric module")
-    variant("metis", default=True, description="Enable metis link")
-    variant("parmetis", default=True, description="Enable parmetis link")
-    variant("irel", default=False, description="Enable irel interface")
-    variant("fbigeom", default=False, description="Enable fbigeom interface")
+    variant("mpi", default=True, description="Enable MPI parallelism support")
+    variant("hdf5", default=True, description="Enable the HDF5 (default I/O) format")
+    variant("netcdf", default=False, description="Enable the ExodusII reader/writer support")
+    variant("pnetcdf", default=False, description="Enable parallel-Netcdf library support")
+    variant("zoltan", default=True, description="Enable Zoltan partitioner support")
+    variant("eigen", default=True, description="Enable Eigen template library for linear algebra")
+    variant("cgm", default=False, description="Enable the Common Geometry Module")
+    variant("metis", default=False, description="Enable Metis partitioner")
+    variant("parmetis", default=False, description="Enable Parmetis partitioner")
+    variant("irel", default=False, description="Enable iRel interface")
+    variant("fbigeom", default=False, description="Enable FBiGeom interface")
     variant("coupler", default=True, description="Enable mbcoupler tool")
-    variant("dagmc", default=False, description="Enable dagmc tool")
+    variant("dagmc", default=False, description="Enable DagMC tool")
 
-    variant("debug", default=False, description="enable debug symbols")
+    variant("debug", default=False, description="Enable debug symbols in libraries")
     variant("shared", default=False, description="Enables the build of shared libraries")
-    variant("fortran", default=True, description="Enable Fortran support")
+    variant("fortran", default=False, description="Enable Fortran support")
 
     conflicts("+irel", when="~cgm")
     conflicts("+pnetcdf", when="~mpi")
@@ -80,6 +85,7 @@ class Moab(AutotoolsPackage):
     depends_on("cgm", when="+cgm")
     depends_on("metis", when="+metis")
     depends_on("parmetis", when="+parmetis")
+    depends_on("eigen", when="+eigen")
     # FIXME it seems that zoltan needs to be built without fortran
     depends_on("zoltan~fortran", when="+zoltan")
 
@@ -126,6 +132,8 @@ def configure_args(self):
 
         options.append("--with-blas=%s" % spec["blas"].libs.ld_flags)
         options.append("--with-lapack=%s" % spec["lapack"].libs.ld_flags)
+        if "+eigen" in spec:
+            options.append("--with-eigen3=%s" % spec["eigen"].prefix.include.eigen3)
 
         if "+hdf5" in spec:
             options.append("--with-hdf5=%s" % spec["hdf5"].prefix)

var/spack/repos/builtin/packages/openpmd-api/package.py

@@ -10,7 +10,7 @@ class OpenpmdApi(CMakePackage):
     """C++ & Python API for Scientific I/O"""
 
     homepage = "https://www.openPMD.org"
-    url = "https://github.com/openPMD/openPMD-api/archive/0.15.1.tar.gz"
+    url = "https://github.com/openPMD/openPMD-api/archive/0.15.2.tar.gz"
     git = "https://github.com/openPMD/openPMD-api.git"
 
     maintainers("ax3l", "franzpoeschel")
@@ -19,6 +19,7 @@ class OpenpmdApi(CMakePackage):
 
     # C++17 up until here
     version("develop", branch="dev")
+    version("0.15.2", sha256="fbe3b356fe6f4589c659027c8056844692c62382e3ec53b953bed1c87e58ba13")
     version("0.15.1", sha256="0e81652152391ba4d2b62cfac95238b11233a4f89ff45e1fcffcc7bcd79dabe1")
     version("0.15.0", sha256="290e3a3c5814204ea6527d53423bfacf7a8dc490713227c9e0eaa3abf4756177")
     # C++14 up until here
@@ -70,8 +71,8 @@ class OpenpmdApi(CMakePackage):
         depends_on("py-pybind11@2.6.2:", type="link")
         depends_on("py-numpy@1.15.1:", type=["test", "run"])
         depends_on("py-mpi4py@2.1.0:", when="+mpi", type=["test", "run"])
-        depends_on("python@3.6:", type=["link", "test", "run"])
-        depends_on("python@3.7:", when="@0.15.0:", type=["link", "test", "run"])
+        depends_on("python@3.7:", type=["link", "test", "run"])
+        depends_on("python@3.8:", when="@0.15.2:", type=["link", "test", "run"])
 
     conflicts("^hdf5 api=v16", msg="openPMD-api requires HDF5 APIs for 1.8+")
 

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

@@ -17,6 +17,7 @@ class Parallelio(CMakePackage):
 
     maintainers("jedwards4b")
 
+    version("2.6.1", sha256="83d3108d2b9db8219aa6b6ee333cfc12b2a588bcfc781587df5f8b24a716a6eb")
     version("2.6.0", sha256="e56a980c71c7f57f396a88beae08f1670d4adf59be6411cd573fe85868ef98c0")
     version("2.5.10", sha256="fac694827c81434a7766976711ba7179940e361e8ed0c189c7b397fd44d401de")
     version("2.5.9", sha256="e5dbc153d8637111de3a51a9655660bf15367d55842de78240dcfc024380553d")
@@ -36,6 +37,12 @@ class Parallelio(CMakePackage):
     )
     variant("mpi", default=True, description="Use mpi to build, otherwise use mpi-serial")
 
+    # This patch addresses building pio2.6.1 with serial netcdf, again the issue is netcdf filters
+    patch("serial261.patch", when="@2.6.1")
+
+    # This patch addresses an issue when compiling pio2.6.0 with a serial netcdf library.
+    # netcdf4 filters are only available with the parallel build of netcdf.
+    patch("pio_260.patch", when="@2.6.0")
     patch("remove_redefinition_of_mpi_offset.patch", when="@:2.5.6")
 
     depends_on("cmake@3.7:", type="build")

var/spack/repos/builtin/packages/parallelio/pio_260.patch

@@ -0,0 +1,20 @@
+diff --git a/src/clib/pio_internal.h b/src/clib/pio_internal.h
+index c360ae4e..79cc48eb 100644
+--- a/src/clib/pio_internal.h
++++ b/src/clib/pio_internal.h
+@@ -17,11 +17,13 @@
+ #include <limits.h>
+ #include <math.h>
+ #include <netcdf.h>
+-#ifdef _NETCDF4
+-#include <netcdf_par.h>
++#ifdef PIO_HAS_PAR_FILTERS
+ #include <netcdf_filter.h>
+ #include <netcdf_meta.h>
+ #endif
++#ifdef _NETCDF4
++#include <netcdf_par.h>
++#endif
+ #ifdef _PNETCDF
+ #include <pnetcdf.h>
+ #endif

var/spack/repos/builtin/packages/parallelio/serial261.patch

@@ -0,0 +1,36 @@
+diff --git a/src/clib/pio.h b/src/clib/pio.h
+index 0aea5a5f..767de18f 100644
+--- a/src/clib/pio.h
++++ b/src/clib/pio.h
+@@ -1267,9 +1267,8 @@ extern "C" {
+                                const long long *op);
+     int PIOc_put_vard_ulonglong(int ncid, int varid, int decompid, const PIO_Offset recnum,
+                                 const unsigned long long *op);
+-/* use this variable in the NETCDF library (introduced in v4.9.0) to determine if the following
+-   functions are available */
+-#ifdef NC_HAS_MULTIFILTERS
++
++#ifdef PIO_HAS_PAR_FILTERS
+   int PIOc_def_var_filter(int ncid, int varid,unsigned int id, size_t nparams, unsigned int *params);
+   int PIOc_inq_var_filter_ids(int ncid, int varid, size_t *nfiltersp, unsigned int *ids);
+   int PIOc_inq_var_filter_info(int ncid, int varid, unsigned int id, size_t *nparamsp, unsigned int *params );
+diff --git a/src/ncint/ncintdispatch.c b/src/ncint/ncintdispatch.c
+index a77396bd..3dce9d2c 100644
+--- a/src/ncint/ncintdispatch.c
++++ b/src/ncint/ncintdispatch.c
+@@ -127,6 +127,7 @@ NC_Dispatch NCINT_dispatcher = {
+     NC_NOTNC4_def_var_filter,
+     NC_NOTNC4_set_var_chunk_cache,
+     NC_NOTNC4_get_var_chunk_cache,
++#ifdef PIO_HAS_PAR_FILTERS
+ #if NC_DISPATCH_VERSION == 2
+     PIO_NCINT_filter_actions,
+ #endif
+@@ -141,6 +142,7 @@ NC_Dispatch NCINT_dispatcher = {
+ #if NC_DISPATCH_VERSION >= 5
+     PIOc_inq_filter_avail,
+ #endif
++#endif
+ };
+ 
+ /**

var/spack/repos/builtin/packages/py-accelerate/package.py

@@ -12,11 +12,16 @@ class PyAccelerate(PythonPackage):
     homepage = "https://github.com/huggingface/accelerate"
     pypi = "accelerate/accelerate-0.16.0.tar.gz"
 
+    maintainers("meyersbs")
+
+    version("0.21.0", sha256="e2959a0bf74d97c0b3c0e036ed96065142a060242281d27970d4c4e34f11ca59")
     version("0.16.0", sha256="d13e30f3e6debfb46cada7b931af85560619b6a6a839d0cafeeab6ed7c6a498d")
 
+    depends_on("python@3.8.0:", when="@0.21.0:", type=("build", "run"))
     depends_on("py-setuptools", type="build")
     depends_on("py-numpy@1.17:", type=("build", "run"))
     depends_on("py-packaging@20:", type=("build", "run"))
     depends_on("py-psutil", type=("build", "run"))
     depends_on("py-pyyaml", type=("build", "run"))
+    depends_on("py-torch@1.10.0:", when="@0.21.0:", type=("build", "run"))
     depends_on("py-torch@1.4:", type=("build", "run"))

var/spack/repos/builtin/packages/py-alpaca-eval/package.py

@@ -0,0 +1,28 @@
+# 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 PyAlpacaEval(PythonPackage):
+    """An automatic evaluator for instruction-following language models.
+    Human-validated, high-quality, cheap, and fast."""
+
+    homepage = "https://github.com/tatsu-lab/alpaca_eval"
+    pypi = "alpaca_eval/alpaca_eval-0.2.8.tar.gz"
+
+    maintainers("meyersbs")
+
+    version("0.2.8", sha256="5b21b74d7362ee229481b6a6d826dd620b2ef6b82e4f5470645e0a4b696a31e6")
+
+    depends_on("py-setuptools", type="build")
+    depends_on("python@3.10:", type=("build", "run"))
+    depends_on("py-python-dotenv", type=("build", "run"))
+    depends_on("py-datasets", type=("build", "run"))
+    depends_on("py-openai", type=("build", "run"))
+    depends_on("py-pandas", type=("build", "run"))
+    depends_on("py-tiktoken@0.3.2:", type=("build", "run"))
+    depends_on("py-fire", type=("build", "run"))

var/spack/repos/builtin/packages/py-alpaca-farm/package.py

@@ -0,0 +1,39 @@
+# 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 PyAlpacaFarm(PythonPackage):
+    """AlpacaFarm is a simulator that enables research and development on learning
+    from feedback at a fraction of the usual cost, promoting accessible research on
+    instruction following and alignment."""
+
+    homepage = "https://github.com/tatsu-lab/alpaca_farm"
+    pypi = "alpaca_farm/alpaca_farm-0.1.9.tar.gz"
+
+    maintainers("meyersbs")
+
+    version("0.1.9", sha256="1039d33c814d0bbbcab6a0e77ed8e897992ad7107d5c4999d56bdad7e0b0a59f")
+
+    depends_on("py-setuptools", type="build")
+    depends_on("python@3.10:", type=("build", "run"))
+    depends_on("py-datasets", type=("build", "run"))
+    depends_on("py-einops", type=("build", "run"))
+    depends_on("py-nltk", type=("build", "run"))
+    depends_on("py-accelerate@0.18.0:", type=("build", "run"))
+    depends_on("py-tabulate", type=("build", "run"))
+    depends_on("py-transformers@4.26.0:", type=("build", "run"))
+    depends_on("py-statsmodels", type=("build", "run"))
+    depends_on("py-tiktoken@0.3.2:", type=("build", "run"))
+    depends_on("py-markdown", type=("build", "run"))
+    depends_on("py-scikit-learn", type=("build", "run"))
+    depends_on("py-sentencepiece", type=("build", "run"))
+    depends_on("py-pandas", type=("build", "run"))
+    depends_on("py-wandb", type=("build", "run"))
+    depends_on("py-torch@1.13.1:", type=("build", "run"))
+    depends_on("py-fire", type=("build", "run"))
+    depends_on("py-openai", type=("build", "run"))
+    depends_on("py-alpaca-eval@0.2.8:", type=("build", "run"))

var/spack/repos/builtin/packages/py-confection/package.py

@@ -0,0 +1,21 @@
+# 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 PyConfection(PythonPackage):
+    """The sweetest config system for Python"""
+
+    homepage = "https://github.com/explosion/confection"
+    pypi = "confection/confection-0.0.4.tar.gz"
+
+    version("0.0.4", sha256="b1ddf5885da635f0e260a40b339730806dfb1bd17d30e08764f35af841b04ecf")
+
+    depends_on("python@3.6:", type=("build", "run"))
+    depends_on("py-setuptools", type="build")
+    depends_on("py-pydantic@1.7.4:1.7,1.9:1.10", type=("build", "run"))
+    depends_on("py-typing-extensions@3.7.4.1:4.4", type=("build", "run"), when="^python@3.7")
+    depends_on("py-srsly@2.4:2", type=("build", "run"))

var/spack/repos/builtin/packages/py-flake8/package.py

@@ -13,6 +13,7 @@ class PyFlake8(PythonPackage):
     homepage = "https://github.com/PyCQA/flake8"
     pypi = "flake8/flake8-4.0.1.tar.gz"
 
+    version("6.1.0", sha256="d5b3857f07c030bdb5bf41c7f53799571d75c4491748a3adcd47de929e34cd23")
     version("6.0.0", sha256="c61007e76655af75e6785a931f452915b371dc48f56efd765247c8fe68f2b181")
     version("5.0.4", sha256="6fbe320aad8d6b95cec8b8e47bc933004678dc63095be98528b7bdd2a9f510db")
     version("5.0.2", sha256="9cc32bc0c5d16eacc014c7ec6f0e9565fd81df66c2092c3c9df06e3c1ac95e5d")
@@ -43,6 +44,11 @@ class PyFlake8(PythonPackage):
     # http://flake8.pycqa.org/en/latest/faq.html#why-does-flake8-use-ranges-for-its-dependencies
     # http://flake8.pycqa.org/en/latest/internal/releases.html#releasing-flake8
 
+    # Flake8 6.1.X
+    depends_on("py-mccabe@0.7", when="@6.1", type=("build", "run"))
+    depends_on("py-pycodestyle@2.11", when="@6.1", type=("build", "run"))
+    depends_on("py-pyflakes@3.1", when="@6.1", type=("build", "run"))
+
     # Flake8 6.0.X
     depends_on("py-mccabe@0.7", when="@6.0", type=("build", "run"))
     depends_on("py-pycodestyle@2.10", when="@6.0", type=("build", "run"))

var/spack/repos/builtin/packages/py-gradio-client/package.py

@@ -0,0 +1,27 @@
+# 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 PyGradioClient(PythonPackage):
+    """Python library for easily interacting with trained machine learning models"""
+
+    homepage = "https://github.com/gradio-app/gradio"
+    pypi = "gradio_client/gradio_client-0.2.9.tar.gz"
+
+    version("0.2.9", sha256="d4071709ab45a3dbacdbd0797fde5d66d87a98424559e060d576fbe9b0171f4d")
+
+    depends_on("python@3.8:", type=("build", "run"))
+    depends_on("py-hatchling", type="build")
+    depends_on("py-hatch-requirements-txt", type="build")
+    depends_on("py-hatch-fancy-pypi-readme@22.5:", type="build")
+    depends_on("py-requests", type=("build", "run"))
+    depends_on("py-websockets", type=("build", "run"))
+    depends_on("py-packaging", type=("build", "run"))
+    depends_on("py-fsspec", type=("build", "run"))
+    depends_on("py-huggingface-hub@0.13:", type=("build", "run"))
+    depends_on("py-typing-extensions", type=("build", "run"))
+    depends_on("py-httpx", type=("build", "run"))

var/spack/repos/builtin/packages/py-markdown-it-py/package.py

@@ -16,14 +16,20 @@ class PyMarkdownItPy(PythonPackage):
     pypi = "markdown-it-py/markdown-it-py-1.1.0.tar.gz"
 
     version("3.0.0", sha256="e3f60a94fa066dc52ec76661e37c851cb232d92f9886b15cb560aaada2df8feb")
+    version("2.2.0", sha256="7c9a5e412688bc771c67432cbfebcdd686c93ce6484913dccf06cb5a0bea35a1")
     version("1.1.0", sha256="36be6bb3ad987bfdb839f5ba78ddf094552ca38ccbd784ae4f74a4e1419fc6e3")
 
+    variant("linkify", default=False, description="Linkify support")
+
     depends_on("python@3.8:", when="@2.1:", type=("build", "run"))
     depends_on("python@3.6:3", when="@:2.0", type=("build", "run"))
     depends_on("py-flit-core@3.4:3", when="@2.1:", type="build")
 
     depends_on("py-mdurl@0.1:0", when="@2:", type=("build", "run"))
 
+    depends_on("py-linkify-it-py@1.0", when="@1.1.0+linkify", type=("build", "run"))
+    depends_on("py-linkify-it-py@1:2", when="@2.2:+linkify", type=("build", "run"))
+
     # Historical dependencies
     depends_on("py-setuptools", when="@:2.0", type="build")
     depends_on("py-attrs@19:21", when="@:2.0", type=("build", "run"))

var/spack/repos/builtin/packages/py-multiqc/package.py

@@ -14,6 +14,7 @@ class PyMultiqc(PythonPackage):
     homepage = "https://multiqc.info"
     pypi = "multiqc/multiqc-1.0.tar.gz"
 
+    version("1.15", sha256="ce5359a12226cf4ce372c6fdad142cfe2ae7501ffa97ac7aab544ced4db5ea3c")
     version("1.14", sha256="dcbba405f0c9521ed2bbd7e8f7a9200643047311c9619878b81d167300149362")
     version("1.13", sha256="0564fb0f894e6ca0822a0f860941b3ed2c33dce407395ac0c2103775d45cbfa0")
     version("1.7", sha256="02e6a7fac7cd9ed036dcc6c92b8f8bcacbd28983ba6be53afb35e08868bd2d68")
@@ -24,7 +25,7 @@ class PyMultiqc(PythonPackage):
     depends_on("python@2.7:", when="@:1.7", type=("build", "run"))
     depends_on("python@3:", when="@1.9:", type=("build", "run"))
     depends_on("py-setuptools", type="build")
-    depends_on("py-matplotlib@2.1.1:", type=("build", "run"), when="@:1.13")
+    depends_on("py-matplotlib@2.1.1:", type=("build", "run"), when="@1.13:")
     depends_on("py-matplotlib@2.1.1:2", type=("build", "run"), when="@1.7")
     depends_on("py-matplotlib@:2.1.0", type=("build", "run"), when="@1.5")
     depends_on("py-matplotlib", type=("build", "run"), when="@:1.3")

var/spack/repos/builtin/packages/py-openmim/package.py

@@ -0,0 +1,26 @@
+# 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 PyOpenmim(PythonPackage):
+    """MIM Installs OpenMMLab packages"""
+
+    homepage = "https://github.com/open-mmlab/mim"
+    pypi = "openmim/openmim-0.3.9.tar.gz"
+
+    version("0.3.9", sha256="b3977b92232b4b8c4d987cbc73e4515826d5543ccd3a66d49fcfc602cc5b3352")
+
+    depends_on("py-setuptools", type="build")
+    depends_on("py-click", type=("build", "run"))
+    depends_on("py-colorama", type=("build", "run"))
+    depends_on("py-model-index", type=("build", "run"))
+    depends_on("py-opendatalab", type=("build", "run"))
+    depends_on("py-pandas", type=("build", "run"))
+    depends_on("py-pip@19.3:", type=("build", "run"))
+    depends_on("py-requests", type=("build", "run"))
+    depends_on("py-rich", type=("build", "run"))
+    depends_on("py-tabulate", type=("build", "run"))

var/spack/repos/builtin/packages/py-picmistandard/package.py

@@ -11,11 +11,12 @@ class PyPicmistandard(PythonPackage):
 
     homepage = "https://picmi-standard.github.io"
     git = "https://github.com/picmi-standard/picmi.git"
-    pypi = "picmistandard/picmistandard-0.25.0.tar.gz"
+    pypi = "picmistandard/picmistandard-0.26.0.tar.gz"
 
     maintainers("ax3l", "dpgrote", "RemiLehe")
 
-    version("develop", branch="master")
+    version("master", branch="master")
+    version("0.26.0", sha256="b22689f576d064bf0cd8f435621e912359fc2ee9347350eab845d2d36ebb62eb")
     version("0.25.0", sha256="3fe6a524822d382e52bfc9d3378249546075d28620969954c5ffb43e7968fb02")
     version("0.24.0", sha256="55a82adcc14b41eb612caf0d9e47b0e2a56ffc196a58b41fa0cc395c6924be9a")
     version("0.23.2", sha256="2853fcfaf2f226a88bb6063ae564832b7e69965294fd652cd2ac04756fa4599a")

var/spack/repos/builtin/packages/py-pycodestyle/package.py

@@ -13,6 +13,7 @@ class PyPycodestyle(PythonPackage):
     homepage = "https://github.com/PyCQA/pycodestyle"
     pypi = "pycodestyle/pycodestyle-2.8.0.tar.gz"
 
+    version("2.11.0", sha256="259bcc17857d8a8b3b4a2327324b79e5f020a13c16074670f9c8c8f872ea76d0")
     version("2.10.0", sha256="347187bdb476329d98f695c213d7295a846d1152ff4fe9bacb8a9590b8ee7053")
     version("2.9.1", sha256="2c9607871d58c76354b697b42f5d57e1ada7d261c261efac224b664affdc5785")
     version("2.9.0", sha256="beaba44501f89d785be791c9462553f06958a221d166c64e1f107320f839acc2")

var/spack/repos/builtin/packages/py-pyflakes/package.py

@@ -12,6 +12,7 @@ class PyPyflakes(PythonPackage):
     homepage = "https://github.com/PyCQA/pyflakes"
     pypi = "pyflakes/pyflakes-2.4.0.tar.gz"
 
+    version("3.1.0", sha256="a0aae034c444db0071aa077972ba4768d40c830d9539fd45bf4cd3f8f6992efc")
     version("3.0.1", sha256="ec8b276a6b60bd80defed25add7e439881c19e64850afd9b346283d4165fd0fd")
     version("2.5.0", sha256="491feb020dca48ccc562a8c0cbe8df07ee13078df59813b83959cbdada312ea3")
     version("2.4.0", sha256="05a85c2872edf37a4ed30b0cce2f6093e1d0581f8c19d7393122da7e25b2b24c")

var/spack/repos/builtin/packages/py-ruamel-yaml-clib/package.py

@@ -21,3 +21,9 @@ class PyRuamelYamlClib(PythonPackage):
     # to prevent legacy-install-failure
     depends_on("python@:3.9", when="@0.2.0", type=("build", "link", "run"))
     depends_on("py-setuptools@28.7.0:", type="build")
+
+    def flag_handler(self, name, flags):
+        if name == "cflags":
+            if self.spec.satisfies("%oneapi"):
+                flags.append("-Wno-error=incompatible-function-pointer-types")
+        return (flags, None, None)

var/spack/repos/builtin/packages/py-tiktoken/package.py

@@ -0,0 +1,26 @@
+# 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 PyTiktoken(PythonPackage):
+    """tiktoken is a fast BPE tokeniser for use with OpenAI's models."""
+
+    homepage = "https://github.com/openai/tiktoken"
+    pypi = "tiktoken/tiktoken-0.4.0.tar.gz"
+
+    maintainers("meyersbs")
+
+    version("0.4.0", sha256="59b20a819969735b48161ced9b92f05dc4519c17be4015cfb73b65270a243620")
+
+    # From pyproject.toml
+    depends_on("py-setuptools@62.4:", type="build")
+    depends_on("py-setuptools-rust@1.5.2:", type="build")
+    depends_on("py-wheel", type="build")
+    depends_on("python@3.8:", type=("build", "run"))
+    depends_on("py-regex@2022.1.18:", type=("build", "run"))
+    depends_on("py-requests@2.26.0:", type=("build", "run"))

var/spack/repos/builtin/packages/py-transformers/package.py

@@ -16,15 +16,18 @@ class PyTransformers(PythonPackage):
 
     maintainers("adamjstewart")
 
+    version("4.31.0", sha256="4302fba920a1c24d3a429a29efff6a63eac03f3f3cf55b55927fc795d01cb273")
     version("4.24.0", sha256="486f353a8e594002e48be0e2aba723d96eda839e63bfe274702a4b5eda85559b")
     version("4.6.1", sha256="83dbff763b7e7dc57cbef1a6b849655d4fcab6bffdd955c5e8bea12a4f76dc10")
     version("2.8.0", sha256="b9f29cdfd39c28f29e0806c321270dea337d6174a7aa60daf9625bf83dbb12ee")
 
+    depends_on("python@3.8:", when="@4.31:", type=("build", "run"))
     depends_on("python@3.7:", when="@4.24:", type=("build", "run"))
     depends_on("python@3.6:", type=("build", "run"))
     depends_on("py-setuptools", type="build")
     depends_on("py-importlib-metadata", when="@4.6: ^python@:3.7", type=("build", "run"))
     depends_on("py-filelock", type=("build", "run"))
+    depends_on("py-huggingface-hub@0.14.1:0", when="@4.26:", type=("build", "run"))
     depends_on("py-huggingface-hub@0.10:0", when="@4.24:", type=("build", "run"))
     depends_on("py-huggingface-hub@0.0.8", when="@4.6.1", type=("build", "run"))
     depends_on("py-numpy@1.17:", when="@4.6:", type=("build", "run"))
@@ -34,6 +37,7 @@ class PyTransformers(PythonPackage):
     depends_on("py-pyyaml@5.1:", when="@4.24:", type=("build", "run"))
     depends_on("py-regex@:2019.12.16,2019.12.18:", type=("build", "run"))
     depends_on("py-requests", type=("build", "run"))
+    depends_on("py-safetensors@0.3.1:", when="@4.31:", type=("build", "run"))
     depends_on("py-tokenizers@0.11.1:0.11.2,0.11.4:0.13", when="@4.24:", type=("build", "run"))
     depends_on("py-tokenizers@0.10.1:0.10", when="@4.6.1", type=("build", "run"))
     depends_on("py-tokenizers@0.5.2", when="@2.8.0", type=("build", "run"))

var/spack/repos/builtin/packages/py-warpx/package.py

@@ -18,7 +18,7 @@ class PyWarpx(PythonPackage):
     """
 
     homepage = "https://ecp-warpx.github.io"
-    url = "https://github.com/ECP-WarpX/WarpX/archive/refs/tags/23.07.tar.gz"
+    url = "https://github.com/ECP-WarpX/WarpX/archive/refs/tags/23.08.tar.gz"
     git = "https://github.com/ECP-WarpX/WarpX.git"
 
     maintainers("ax3l", "dpgrote", "RemiLehe")
@@ -27,6 +27,7 @@ class PyWarpx(PythonPackage):
 
     # NOTE: if you update the versions here, also see warpx
     version("develop", branch="development")
+    version("23.08", sha256="67695ff04b83d1823ea621c19488e54ebaf268532b0e5eb4ea8ad293d7ab3ddc")
     version("23.07", sha256="511633f94c0d0205013609bde5bbf92a29c2e69f6e69b461b80d09dc25602945")
     version("23.06", sha256="75fcac949220c44dce04de581860c9a2caa31a0eee8aa7d49455fa5fc928514b")
     version("23.05", sha256="34306a98fdb1f5f44ab4fb92f35966bfccdcf1680a722aa773af2b59a3060d73")
@@ -50,6 +51,7 @@ class PyWarpx(PythonPackage):
     variant("mpi", default=True, description="Enable MPI support")
 
     for v in [
+        "23.08",
         "23.07",
         "23.06",
         "23.05",
@@ -73,24 +75,23 @@ class PyWarpx(PythonPackage):
     ]:
         depends_on("warpx@{0}".format(v), when="@{0}".format(v), type=["build", "link"])
 
-    depends_on("python@3.6:3.9", type=("build", "run"), when="@:21.12")
-    depends_on("python@3.6:", type=("build", "run"), when="@22.01:")
+    depends_on("python@3.7:", type=("build", "run"))
+    depends_on("python@3.8:", type=("build", "run"), when="@23.09:")
     depends_on("py-numpy@1.15.0:1", type=("build", "run"))
     depends_on("py-mpi4py@2.1.0:", type=("build", "run"), when="+mpi")
     depends_on("py-periodictable@1.5:1", type=("build", "run"))
-    depends_on("py-picmistandard@0.0.18", type=("build", "run"), when="@22.01")
-    depends_on("py-picmistandard@0.0.19", type=("build", "run"), when="@22.02:22.09")
-    depends_on("py-picmistandard@0.0.20", type=("build", "run"), when="@22.10:22.11")
-    depends_on("py-picmistandard@0.0.22", type=("build", "run"), when="@22.12:23.03")
-    depends_on("py-picmistandard@0.23.2", type=("build", "run"), when="@23.04:23.05")
-    depends_on("py-picmistandard@0.24.0", type=("build", "run"), when="@23.06")
     depends_on("py-picmistandard@0.25.0", type=("build", "run"), when="@23.07:")
+    depends_on("py-picmistandard@0.24.0", type=("build", "run"), when="@23.06")
+    depends_on("py-picmistandard@0.23.2", type=("build", "run"), when="@23.04:23.05")
+    depends_on("py-picmistandard@0.0.22", type=("build", "run"), when="@22.12:23.03")
+    depends_on("py-picmistandard@0.0.20", type=("build", "run"), when="@22.10:22.11")
+    depends_on("py-picmistandard@0.0.19", type=("build", "run"), when="@22.02:22.09")
+    depends_on("py-picmistandard@0.0.18", type=("build", "run"), when="@22.01")
     depends_on("py-setuptools@42:", type="build")
     # Since we use PYWARPX_LIB_DIR to pull binaries out of the
     # 'warpx' spack package, we don't need py-cmake as declared
     # depends_on('py-cmake@3.15:3', type='build')
     # depends_on('py-cmake@3.18:3', type='build', when='@22.01:')
-    depends_on("py-wheel", type="build")
     depends_on("warpx +lib ~mpi +shared", type=("build", "link"), when="~mpi")
     depends_on("warpx +lib +mpi +shared", type=("build", "link"), when="+mpi")
 

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

@@ -79,14 +79,14 @@ def config_options(self):
     # Hijack the edit stage to run mconfig.
     def edit(self, spec, prefix):
         with working_dir(self.build_directory):
-            confstring = "./mconfig --prefix=%s" % prefix
-            confstring += " " + " ".join(self.config_options)
+            _config_options = ["--prefix=%s" % prefix]
+            _config_options += self.config_options
             if "~suid" in spec:
-                confstring += " --without-suid"
+                _config_options += " --without-suid"
             if "~network" in spec:
-                confstring += " --without-network"
-            configure = Executable(confstring)
-            configure()
+                _config_options += " --without-network"
+            configure = Executable("./mconfig")
+            configure(*_config_options)
 
     # Set these for use by MakefilePackage's default build/install methods.
     build_targets = ["-C", "builddir", "parallel=False"]

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

@@ -27,6 +27,7 @@ class Sundials(CMakePackage, CudaPackage, ROCmPackage):
     # Versions
     # ==========================================================================
     version("develop", branch="develop")
+    version("6.6.0", sha256="f90029b8da846c8faff5530fd1fa4847079188d040554f55c1d5d1e04743d29d")
     version("6.5.1", sha256="4252303805171e4dbdd19a01e52c1dcfe0dafc599c3cfedb0a5c2ffb045a8a75")
     version("6.5.0", sha256="4e0b998dff292a2617e179609b539b511eb80836f5faacf800e688a886288502")
     version("6.4.1", sha256="7bf10a8d2920591af3fba2db92548e91ad60eb7241ab23350a9b1bc51e05e8d0")

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

@@ -108,6 +108,9 @@ class Tasmanian(CMakePackage, CudaPackage, ROCmPackage):
     depends_on("magma@2.4.0:", when="+magma @6.0:", type=("build", "run"))
     depends_on("magma@2.5.0:", when="+magma @7.0:", type=("build", "run"))
 
+    # https://github.com/spack/spack/issues/39536#issuecomment-1685161942
+    conflicts("^cuda@12", when="@:7.9 +cuda")
+
     conflicts("+magma", when="~cuda~rocm")  # currently MAGMA only works with CUDA
     conflicts("+cuda", when="+rocm")  # can pick CUDA or ROCm, not both
 

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

@@ -31,3 +31,11 @@ class Veccore(CMakePackage):
     version("0.4.1", sha256="59ffe668c061acde89afb33749f4eb8bab35dd5f6e51f632758794c1a745aabf")
     version("0.4.0", sha256="0a38b958c92647c30b5709d17edaf39d241b92b988f1040c0fbe24932b42927e")
     version("0.3.2", sha256="d72b03df00f5e94b2d07f78ab3af6d9d956c19e9a1fae07267b48f6fc8d7713f")
+
+    variant("vc", default=False, description="Enable Vc backend")
+
+    depends_on("vc@1.2.0:", when="@0.2.0: +vc")
+    depends_on("vc@1.3.3:", when="@0.6.0: +vc")
+
+    def cmake_args(self):
+        return [self.define_from_variant("VC", "vc")]

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

@@ -17,7 +17,7 @@ class Warpx(CMakePackage):
     """
 
     homepage = "https://ecp-warpx.github.io"
-    url = "https://github.com/ECP-WarpX/WarpX/archive/refs/tags/23.07.tar.gz"
+    url = "https://github.com/ECP-WarpX/WarpX/archive/refs/tags/23.08.tar.gz"
     git = "https://github.com/ECP-WarpX/WarpX.git"
 
     maintainers("ax3l", "dpgrote", "MaxThevenet", "RemiLehe")
@@ -25,6 +25,7 @@ class Warpx(CMakePackage):
 
     # NOTE: if you update the versions here, also see py-warpx
     version("develop", branch="development")
+    version("23.08", sha256="67695ff04b83d1823ea621c19488e54ebaf268532b0e5eb4ea8ad293d7ab3ddc")
     version("23.07", sha256="511633f94c0d0205013609bde5bbf92a29c2e69f6e69b461b80d09dc25602945")
     version("23.06", sha256="75fcac949220c44dce04de581860c9a2caa31a0eee8aa7d49455fa5fc928514b")
     version("23.05", sha256="34306a98fdb1f5f44ab4fb92f35966bfccdcf1680a722aa773af2b59a3060d73")

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

@@ -20,6 +20,8 @@ class Whizard(AutotoolsPackage):
     maintainers("vvolkl")
 
     version("master", branch="master")
+    version("3.1.2", sha256="4f706f8ef02a580ae4dba867828691dfe0b3f9f9b8982b617af72eb8cd4c6fa3")
+    version("3.1.1", sha256="dd48e4e39b8a4990be47775ec6171f89d8147cb2e9e293afc7051a7dbc5a23ef")
     version("3.1.0", sha256="9dc5e6d1a25d2fc708625f85010cb81b63559ff02cceb9b35024cf9f426c0ad9")
     version("3.0.3", sha256="20f2269d302fc162a6aed8e781b504ba5112ef0711c078cdb08b293059ed67cf")
     version("3.0.2", sha256="f1db92cd95a0281f6afbf4ac32ab027670cb97a57ad8f5139c0d1f61593d66ec")

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

@@ -15,6 +15,7 @@ class Zig(CMakePackage):
 
     maintainers("alalazo")
 
+    version("0.11.0", tag="0.11.0")
     version("0.10.1", tag="0.10.1")
     version("0.9.1", tag="0.9.1", deprecated=True)
 
@@ -28,6 +29,7 @@ class Zig(CMakePackage):
     depends_on("llvm targets=all")
     depends_on("llvm@13", when="@0.9.1")
     depends_on("llvm@15", when="@0.10.1")
+    depends_on("llvm@16", when="@0.11.0")
 
     depends_on("git", type="build")
     depends_on("ccache")

var/spack/repos/builtin/packages/zlib-ng/package.py

@@ -12,6 +12,9 @@ class ZlibNg(AutotoolsPackage, CMakePackage):
 
     homepage = "https://github.com/zlib-ng/zlib-ng"
     url = "https://github.com/zlib-ng/zlib-ng/archive/2.0.0.tar.gz"
+    git = "https://github.com/zlib-ng/zlib-ng.git"
+
+    maintainers("haampie")
 
     version("2.1.3", sha256="d20e55f89d71991c59f1c5ad1ef944815e5850526c0d9cd8e504eaed5b24491a")
     version("2.1.2", sha256="383560d6b00697c04e8878e26c0187b480971a8bce90ffd26a5a7b0f7ecf1a33")

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

@@ -22,7 +22,9 @@ class Zlib(MakefilePackage, Package):
     homepage = "https://zlib.net"
     # URL must remain http:// so Spack can bootstrap curl
     url = "http://zlib.net/fossils/zlib-1.2.11.tar.gz"
+    git = "https://github.com/madler/zlib.git"
 
+    version("1.3", sha256="ff0ba4c292013dbc27530b3a81e1f9a813cd39de01ca5e0f8bf355702efa593e")
     version("1.2.13", sha256="b3a24de97a8fdbc835b9833169501030b8977031bcb54b3b3ac13740f846ab30")
     version(
         "1.2.12",