qupled 1.3.2__cp312-cp312-macosx_14_0_arm64.whl → 1.3.4__cp312-cp312-macosx_14_0_arm64.whl

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (41) hide show
  1. qupled/.dylibs/libSQLiteCpp.0.dylib +0 -0
  2. qupled/.dylibs/{libsqlite3.3.50.1.dylib → libsqlite3.3.50.2.dylib} +0 -0
  3. qupled/database.py +66 -28
  4. qupled/esa.py +11 -5
  5. qupled/hf.py +134 -73
  6. qupled/include/fmt/args.h +235 -0
  7. qupled/include/fmt/chrono.h +2240 -0
  8. qupled/include/fmt/color.h +643 -0
  9. qupled/include/fmt/compile.h +535 -0
  10. qupled/include/fmt/core.h +2969 -0
  11. qupled/include/fmt/format-inl.h +1678 -0
  12. qupled/include/fmt/format.h +4535 -0
  13. qupled/include/fmt/os.h +455 -0
  14. qupled/include/fmt/ostream.h +245 -0
  15. qupled/include/fmt/printf.h +675 -0
  16. qupled/include/fmt/ranges.h +738 -0
  17. qupled/include/fmt/std.h +537 -0
  18. qupled/include/fmt/xchar.h +259 -0
  19. qupled/lib/cmake/fmt/fmt-config-version.cmake +43 -0
  20. qupled/lib/cmake/fmt/fmt-config.cmake +31 -0
  21. qupled/lib/cmake/fmt/fmt-targets-release.cmake +19 -0
  22. qupled/lib/cmake/fmt/fmt-targets.cmake +116 -0
  23. qupled/lib/libfmt.a +0 -0
  24. qupled/lib/pkgconfig/fmt.pc +11 -0
  25. qupled/mpi.py +104 -69
  26. qupled/native.cpython-312-darwin.so +0 -0
  27. qupled/qstls.py +13 -10
  28. qupled/qstlsiet.py +13 -10
  29. qupled/qvsstls.py +13 -11
  30. qupled/rpa.py +11 -7
  31. qupled/serialize.py +43 -0
  32. qupled/stls.py +29 -26
  33. qupled/stlsiet.py +34 -25
  34. qupled/timer.py +33 -0
  35. qupled/vsstls.py +44 -42
  36. {qupled-1.3.2.dist-info → qupled-1.3.4.dist-info}/METADATA +1 -1
  37. qupled-1.3.4.dist-info/RECORD +45 -0
  38. qupled-1.3.2.dist-info/RECORD +0 -24
  39. {qupled-1.3.2.dist-info → qupled-1.3.4.dist-info}/WHEEL +0 -0
  40. {qupled-1.3.2.dist-info → qupled-1.3.4.dist-info}/licenses/LICENSE +0 -0
  41. {qupled-1.3.2.dist-info → qupled-1.3.4.dist-info}/top_level.txt +0 -0
@@ -0,0 +1,235 @@
1
+ // Formatting library for C++ - dynamic argument lists
2
+ //
3
+ // Copyright (c) 2012 - present, Victor Zverovich
4
+ // All rights reserved.
5
+ //
6
+ // For the license information refer to format.h.
7
+
8
+ #ifndef FMT_ARGS_H_
9
+ #define FMT_ARGS_H_
10
+
11
+ #include <functional> // std::reference_wrapper
12
+ #include <memory> // std::unique_ptr
13
+ #include <vector>
14
+
15
+ #include "core.h"
16
+
17
+ FMT_BEGIN_NAMESPACE
18
+
19
+ namespace detail {
20
+
21
+ template <typename T> struct is_reference_wrapper : std::false_type {};
22
+ template <typename T>
23
+ struct is_reference_wrapper<std::reference_wrapper<T>> : std::true_type {};
24
+
25
+ template <typename T> auto unwrap(const T& v) -> const T& { return v; }
26
+ template <typename T>
27
+ auto unwrap(const std::reference_wrapper<T>& v) -> const T& {
28
+ return static_cast<const T&>(v);
29
+ }
30
+
31
+ class dynamic_arg_list {
32
+ // Workaround for clang's -Wweak-vtables. Unlike for regular classes, for
33
+ // templates it doesn't complain about inability to deduce single translation
34
+ // unit for placing vtable. So storage_node_base is made a fake template.
35
+ template <typename = void> struct node {
36
+ virtual ~node() = default;
37
+ std::unique_ptr<node<>> next;
38
+ };
39
+
40
+ template <typename T> struct typed_node : node<> {
41
+ T value;
42
+
43
+ template <typename Arg>
44
+ FMT_CONSTEXPR typed_node(const Arg& arg) : value(arg) {}
45
+
46
+ template <typename Char>
47
+ FMT_CONSTEXPR typed_node(const basic_string_view<Char>& arg)
48
+ : value(arg.data(), arg.size()) {}
49
+ };
50
+
51
+ std::unique_ptr<node<>> head_;
52
+
53
+ public:
54
+ template <typename T, typename Arg> auto push(const Arg& arg) -> const T& {
55
+ auto new_node = std::unique_ptr<typed_node<T>>(new typed_node<T>(arg));
56
+ auto& value = new_node->value;
57
+ new_node->next = std::move(head_);
58
+ head_ = std::move(new_node);
59
+ return value;
60
+ }
61
+ };
62
+ } // namespace detail
63
+
64
+ /**
65
+ \rst
66
+ A dynamic version of `fmt::format_arg_store`.
67
+ It's equipped with a storage to potentially temporary objects which lifetimes
68
+ could be shorter than the format arguments object.
69
+
70
+ It can be implicitly converted into `~fmt::basic_format_args` for passing
71
+ into type-erased formatting functions such as `~fmt::vformat`.
72
+ \endrst
73
+ */
74
+ template <typename Context>
75
+ class dynamic_format_arg_store
76
+ #if FMT_GCC_VERSION && FMT_GCC_VERSION < 409
77
+ // Workaround a GCC template argument substitution bug.
78
+ : public basic_format_args<Context>
79
+ #endif
80
+ {
81
+ private:
82
+ using char_type = typename Context::char_type;
83
+
84
+ template <typename T> struct need_copy {
85
+ static constexpr detail::type mapped_type =
86
+ detail::mapped_type_constant<T, Context>::value;
87
+
88
+ enum {
89
+ value = !(detail::is_reference_wrapper<T>::value ||
90
+ std::is_same<T, basic_string_view<char_type>>::value ||
91
+ std::is_same<T, detail::std_string_view<char_type>>::value ||
92
+ (mapped_type != detail::type::cstring_type &&
93
+ mapped_type != detail::type::string_type &&
94
+ mapped_type != detail::type::custom_type))
95
+ };
96
+ };
97
+
98
+ template <typename T>
99
+ using stored_type = conditional_t<
100
+ std::is_convertible<T, std::basic_string<char_type>>::value &&
101
+ !detail::is_reference_wrapper<T>::value,
102
+ std::basic_string<char_type>, T>;
103
+
104
+ // Storage of basic_format_arg must be contiguous.
105
+ std::vector<basic_format_arg<Context>> data_;
106
+ std::vector<detail::named_arg_info<char_type>> named_info_;
107
+
108
+ // Storage of arguments not fitting into basic_format_arg must grow
109
+ // without relocation because items in data_ refer to it.
110
+ detail::dynamic_arg_list dynamic_args_;
111
+
112
+ friend class basic_format_args<Context>;
113
+
114
+ auto get_types() const -> unsigned long long {
115
+ return detail::is_unpacked_bit | data_.size() |
116
+ (named_info_.empty()
117
+ ? 0ULL
118
+ : static_cast<unsigned long long>(detail::has_named_args_bit));
119
+ }
120
+
121
+ auto data() const -> const basic_format_arg<Context>* {
122
+ return named_info_.empty() ? data_.data() : data_.data() + 1;
123
+ }
124
+
125
+ template <typename T> void emplace_arg(const T& arg) {
126
+ data_.emplace_back(detail::make_arg<Context>(arg));
127
+ }
128
+
129
+ template <typename T>
130
+ void emplace_arg(const detail::named_arg<char_type, T>& arg) {
131
+ if (named_info_.empty()) {
132
+ constexpr const detail::named_arg_info<char_type>* zero_ptr{nullptr};
133
+ data_.insert(data_.begin(), {zero_ptr, 0});
134
+ }
135
+ data_.emplace_back(detail::make_arg<Context>(detail::unwrap(arg.value)));
136
+ auto pop_one = [](std::vector<basic_format_arg<Context>>* data) {
137
+ data->pop_back();
138
+ };
139
+ std::unique_ptr<std::vector<basic_format_arg<Context>>, decltype(pop_one)>
140
+ guard{&data_, pop_one};
141
+ named_info_.push_back({arg.name, static_cast<int>(data_.size() - 2u)});
142
+ data_[0].value_.named_args = {named_info_.data(), named_info_.size()};
143
+ guard.release();
144
+ }
145
+
146
+ public:
147
+ constexpr dynamic_format_arg_store() = default;
148
+
149
+ /**
150
+ \rst
151
+ Adds an argument into the dynamic store for later passing to a formatting
152
+ function.
153
+
154
+ Note that custom types and string types (but not string views) are copied
155
+ into the store dynamically allocating memory if necessary.
156
+
157
+ **Example**::
158
+
159
+ fmt::dynamic_format_arg_store<fmt::format_context> store;
160
+ store.push_back(42);
161
+ store.push_back("abc");
162
+ store.push_back(1.5f);
163
+ std::string result = fmt::vformat("{} and {} and {}", store);
164
+ \endrst
165
+ */
166
+ template <typename T> void push_back(const T& arg) {
167
+ if (detail::const_check(need_copy<T>::value))
168
+ emplace_arg(dynamic_args_.push<stored_type<T>>(arg));
169
+ else
170
+ emplace_arg(detail::unwrap(arg));
171
+ }
172
+
173
+ /**
174
+ \rst
175
+ Adds a reference to the argument into the dynamic store for later passing to
176
+ a formatting function.
177
+
178
+ **Example**::
179
+
180
+ fmt::dynamic_format_arg_store<fmt::format_context> store;
181
+ char band[] = "Rolling Stones";
182
+ store.push_back(std::cref(band));
183
+ band[9] = 'c'; // Changing str affects the output.
184
+ std::string result = fmt::vformat("{}", store);
185
+ // result == "Rolling Scones"
186
+ \endrst
187
+ */
188
+ template <typename T> void push_back(std::reference_wrapper<T> arg) {
189
+ static_assert(
190
+ need_copy<T>::value,
191
+ "objects of built-in types and string views are always copied");
192
+ emplace_arg(arg.get());
193
+ }
194
+
195
+ /**
196
+ Adds named argument into the dynamic store for later passing to a formatting
197
+ function. ``std::reference_wrapper`` is supported to avoid copying of the
198
+ argument. The name is always copied into the store.
199
+ */
200
+ template <typename T>
201
+ void push_back(const detail::named_arg<char_type, T>& arg) {
202
+ const char_type* arg_name =
203
+ dynamic_args_.push<std::basic_string<char_type>>(arg.name).c_str();
204
+ if (detail::const_check(need_copy<T>::value)) {
205
+ emplace_arg(
206
+ fmt::arg(arg_name, dynamic_args_.push<stored_type<T>>(arg.value)));
207
+ } else {
208
+ emplace_arg(fmt::arg(arg_name, arg.value));
209
+ }
210
+ }
211
+
212
+ /** Erase all elements from the store */
213
+ void clear() {
214
+ data_.clear();
215
+ named_info_.clear();
216
+ dynamic_args_ = detail::dynamic_arg_list();
217
+ }
218
+
219
+ /**
220
+ \rst
221
+ Reserves space to store at least *new_cap* arguments including
222
+ *new_cap_named* named arguments.
223
+ \endrst
224
+ */
225
+ void reserve(size_t new_cap, size_t new_cap_named) {
226
+ FMT_ASSERT(new_cap >= new_cap_named,
227
+ "Set of arguments includes set of named arguments");
228
+ data_.reserve(new_cap);
229
+ named_info_.reserve(new_cap_named);
230
+ }
231
+ };
232
+
233
+ FMT_END_NAMESPACE
234
+
235
+ #endif // FMT_ARGS_H_