Merge pull request #3884 from akohlmey/fmtlib-10.1

Update fmtlib to version 10.1

lib/python/Makefile.lammps

@@ -1,7 +1,14 @@
 # Settings that the LAMMPS build will import when this package library is used
 # See the README file for more explanation
-
-python_SYSINC = $(shell which python-config > /dev/null 2>&1 && python-config --includes || :)
-python_SYSLIB = $(shell which python-config > /dev/null 2>&1 && python-config --ldflags --embed > /dev/null 2>&1 && python-config --ldflags --embed || (which python-config > /dev/null 2>&1 && python-config --ldflags || :) )
-python_SYSPATH =
+ifeq ($(shell type python3 >/dev/null 2>&1; echo $$?), 0)
+PYTHON=python3
+PYTHONCONFIG = python3-config
+else
+PYTHONCONFIG = python-config
 PYTHON=python
+endif
+
+
+python_SYSINC = $(shell which $(PYTHONCONFIG) > /dev/null 2>&1 && $(PYTHONCONFIG) --includes || :)
+python_SYSLIB = $(shell which $(PYTHONCONFIG) > /dev/null 2>&1 && $(PYTHONCONFIG) --ldflags --embed > /dev/null 2>&1 && $(PYTHONCONFIG) --ldflags --embed || (which $(PYTHONCONFIG) > /dev/null 2>&1 && $(PYTHONCONFIG) --ldflags || :) )
+python_SYSPATH =

src/fmt/core.h

@@ -13,11 +13,12 @@
 #include <cstring>  // std::strlen
 #include <iterator>
 #include <limits>
+#include <memory>  // std::addressof
 #include <string>
 #include <type_traits>
 
 // The fmt library version in the form major * 10000 + minor * 100 + patch.
-#define FMT_VERSION 100001
+#define FMT_VERSION 100100
 
 #if defined(__clang__) && !defined(__ibmxl__)
 #  define FMT_CLANG_VERSION (__clang_major__ * 100 + __clang_minor__)
@@ -1290,9 +1291,9 @@ template <typename Context> class value {
   FMT_INLINE value(const named_arg_info<char_type>* args, size_t size)
       : named_args{args, size} {}
 
-  template <typename T> FMT_CONSTEXPR FMT_INLINE value(T& val) {
+  template <typename T> FMT_CONSTEXPR20 FMT_INLINE value(T& val) {
     using value_type = remove_const_t<T>;
-    custom.value = const_cast<value_type*>(&val);
+    custom.value = const_cast<value_type*>(std::addressof(val));
     // Get the formatter type through the context to allow different contexts
     // have different extension points, e.g. `formatter<T>` for `format` and
     // `printf_formatter<T>` for `printf`.
@@ -1669,6 +1670,7 @@ template <typename Context> class basic_format_arg {
   ``vis(value)`` will be called with the value of type ``double``.
   \endrst
  */
+// DEPRECATED!
 FMT_EXPORT
 template <typename Visitor, typename Context>
 FMT_CONSTEXPR FMT_INLINE auto visit_format_arg(

src/fmt/format.h

@@ -920,7 +920,7 @@ class basic_memory_buffer final : public detail::buffer<T> {
  private:
   T store_[SIZE];
 
-  // Don't inherit from Allocator avoid generating type_info for it.
+  // Don't inherit from Allocator to avoid generating type_info for it.
   FMT_NO_UNIQUE_ADDRESS Allocator alloc_;
 
   // Deallocate memory allocated by the buffer.
@@ -3178,7 +3178,8 @@ FMT_CONSTEXPR20 inline void format_dragon(basic_fp<uint128_t> value,
       }
       if (buf[0] == overflow) {
         buf[0] = '1';
-        ++exp10;
+        if ((flags & dragon::fixed) != 0) buf.push_back('0');
+        else ++exp10;
       }
       return;
     }

src/fmt/std.h

@@ -8,6 +8,7 @@
 #ifndef FMT_STD_H_
 #define FMT_STD_H_
 
+#include <bitset>
 #include <cstdlib>
 #include <exception>
 #include <memory>
@@ -15,6 +16,7 @@
 #include <type_traits>
 #include <typeinfo>
 #include <utility>
+#include <vector>
 
 #include "format.h"
 #include "ostream.h"
@@ -389,6 +391,50 @@ struct formatter<
 #endif
   }
 };
+
+namespace detail {
+
+template <typename T, typename Enable = void>
+struct has_flip : std::false_type {};
+
+template <typename T>
+struct has_flip<T, void_t<decltype(std::declval<T>().flip())>>
+    : std::true_type {};
+
+template <typename T> struct is_bit_reference_like {
+  static constexpr const bool value =
+      std::is_convertible<T, bool>::value &&
+      std::is_nothrow_assignable<T, bool>::value && has_flip<T>::value;
+};
+
+#ifdef _LIBCPP_VERSION
+
+// Workaround for libc++ incompatibility with C++ standard.
+// According to the Standard, `bitset::operator[] const` returns bool.
+template <typename C>
+struct is_bit_reference_like<std::__bit_const_reference<C>> {
+  static constexpr const bool value = true;
+};
+
+#endif
+
+}  // namespace detail
+
+// We can't use std::vector<bool, Allocator>::reference and
+// std::bitset<N>::reference because the compiler can't deduce Allocator and N
+// in partial specialization.
+FMT_EXPORT
+template <typename BitRef, typename Char>
+struct formatter<BitRef, Char,
+                 enable_if_t<detail::is_bit_reference_like<BitRef>::value>>
+    : formatter<bool, Char> {
+  template <typename FormatContext>
+  FMT_CONSTEXPR auto format(const BitRef& v, FormatContext& ctx) const
+      -> decltype(ctx.out()) {
+    return formatter<bool, Char>::format(v, ctx);
+  }
+};
+
 FMT_END_NAMESPACE
 
 #endif  // FMT_STD_H_

tools/singularity/ubuntu20.04.def

@@ -54,6 +54,7 @@ From: ubuntu:20.04
         python3-setuptools \
         python3-virtualenv \
         python3-venv \
+        python-is-python3 \
         rsync \
         ssh \
         texlive \

tools/singularity/ubuntu20.04_amd_rocm.def

@@ -83,6 +83,7 @@ From: ubuntu:20.04
         python3-setuptools \
         python3-virtualenv \
         python3-venv \
+        python-is-python3 \
         rsync \
         ssh \
         vim-nox \

tools/singularity/ubuntu20.04_gpu.def

@@ -88,6 +88,7 @@ From: ubuntu:20.04
         python3-setuptools \
         python3-virtualenv \
         python3-venv \
+        python-is-python3 \
         rsync \
         ssh \
         vim-nox \

tools/singularity/ubuntu20.04_intel_opencl.def

@@ -53,6 +53,7 @@ From: ubuntu:20.04
         python3-setuptools \
         python3-virtualenv \
         python3-venv \
+        python-is-python3 \
         rsync \
         ssh \
         vim-nox \

tools/singularity/ubuntu20.04_nvidia.def

@@ -56,6 +56,7 @@ From: nvidia/cuda:11.6.2-devel-ubuntu20.04
         python3-setuptools \
         python3-virtualenv \
         python3-venv \
+        python-is-python3 \
         rsync \
         ssh \
         vim-nox \

tools/singularity/ubuntu20.04_oneapi.def

@@ -52,6 +52,7 @@ From: ubuntu:20.04
         python3-setuptools \
         python3-virtualenv \
         python3-venv \
+        python-is-python3 \
         rsync \
         ssh \
         texlive \

tools/singularity/ubuntu22.04.def

@@ -54,6 +54,7 @@ From: ubuntu:22.04
         python3-setuptools \
         python3-virtualenv \
         python3-venv \
+        python-is-python3 \
         rsync \
         ssh \
         texlive \