qlat-utils 0.76__tar.gz → 0.78__tar.gz

{qlat_utils-0.76 → qlat_utils-0.78}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: qlat-utils
-Version: 0.76
+Version: 0.78
 Summary: Qlattice utilities
 Author-Email: Luchang Jin <ljin.luchang@gmail.com>
 License: GPL-3.0-or-later

qlat_utils-0.78/bin/qlat-utils-config

@@ -0,0 +1,3 @@
+#!/usr/bin/env python3
+
+import qlat_utils_config.__main__

{qlat_utils-0.76 → qlat_utils-0.78}/meson.build

@@ -1,5 +1,5 @@
 project('qlat-utils', 'cpp', 'cython',
-  version: '0.76',
+  version: '0.78',
   license: 'GPL-3.0-or-later',
   default_options: [
     'warning_level=3',
@@ -52,5 +52,6 @@ endif
 
 deps = [ py3.dependency().as_system(), numpy, eigen, omp, zlib, math, quadmath, ]
 
+subdir('qlat_utils_config')
 subdir('qlat_utils')
 subdir('bin')

{qlat_utils-0.76 → qlat_utils-0.78}/qlat_utils/__init__.py

@@ -23,14 +23,14 @@ from .qplot import *
 
 from .parallel import *
 
-from .get_include_dir import *
-
 from .json import *
 
 from .lru_cache import *
 
 from . import q_fit_corr
 
+from . import q_fit_corr_2
+
 set_verbose_level()
 
 set_display_method_obj = SetDisplayMethod()

{qlat_utils-0.76 → qlat_utils-0.78}/qlat_utils/__main__.py

@@ -2,13 +2,13 @@ import sys
 
 usage_message = """
 Usage:
+    python3 -m qlat_utils qlat-utils-config ...
     python3 -m qlat_utils crc32 ...
     python3 -m qlat_utils lat-io-glimpse ...
     python3 -m qlat_utils lat-io-diff ...
     python3 -m qlat_utils pickle-glimpse ...
     python3 -m qlat_utils qar-glimpse ...
     python3 -m qlat_utils qar ...
-    python3 -m qlat_utils qlat-utils-config ...
 """.strip()
 
 if len(sys.argv) < 2:
@@ -19,7 +19,7 @@ action = sys.argv[1]
 sys.argv = sys.argv[1:]
 
 if action == "qlat-utils-config":
-    from .scripts import qlat_utils_config
+    import qlat_utils_config.__main__
 elif action == "crc32":
     from .scripts import crc32
 elif action == "lat-io-glimpse":

{qlat_utils-0.76 → qlat_utils-0.78}/qlat_utils/cache.py

@@ -3,6 +3,10 @@ from . import c
 
 class Cache(dict):
 
+    """
+    self.cache_keys
+    """
+
     def __init__(self, *keys):
         super().__init__()
         self.cache_keys = keys
@@ -17,8 +21,6 @@ def list_cache(ca=cache):
     for key, val in ca.items():
         if isinstance(val, Cache):
             l[key] = list_cache(val)
-        else:
-            l[key] = None
     return l
 
 def show_cache_keys(keys):
@@ -79,4 +81,5 @@ def clear_all_caches():
     clean python level cache and then C++ level cache
     """
     clean_cache()
+    cache.clear()
     c.clear_all_caches()

{qlat_utils-0.76 → qlat_utils-0.78}/qlat_utils/data.py

@@ -686,6 +686,9 @@ def jk_blocking_func_default(
         ):
     """
     block_size_for_this_job_tag = block_size_dict.get(job_tag, block_size)
+    #
+    use default_g_jk_kwargs for
+    block_size, block_size_dict, all_jk_idx_set
     """
     block_size = default_g_jk_kwargs["block_size"]
     block_size_dict = default_g_jk_kwargs["block_size_dict"]

{qlat_utils-0.76 → qlat_utils-0.78}/qlat_utils/include/qlat-utils/complex.h

@@ -14,7 +14,7 @@
 
 #if defined QLAT_NO_ALIGNED_ALLOC
 #define QLAT_ALIGNED_BYTES 1
-constexpr int qlat_aligned_bytes(int size) { return 1; }
+constexpr int qlat_aligned_bytes(int size) { (void)size; return 1; }
 #define QLAT_ALIGN(SIZE) __attribute__((aligned(1)))
 // #define QLAT_ALIGN(SIZE) alignas(1)
 #else

{qlat_utils-0.76 → qlat_utils-0.78}/qlat_utils/include/qlat-utils/lat-io.h

@@ -319,7 +319,7 @@ bool is_matching(const LatDataT<T>& ld1, const LatDataT<T>& ld2)
 }
 
 template <class T, class VecS>
-Vector<RealD> lat_data_get(LatDataT<T>& ld, const VecS& idx)
+Vector<T> lat_data_get(LatDataT<T>& ld, const VecS& idx)
 {
   const Long offset = lat_data_offset(ld, idx);
   const Long size = lat_data_size(ld, idx.size());
@@ -329,7 +329,7 @@ Vector<RealD> lat_data_get(LatDataT<T>& ld, const VecS& idx)
 }
 
 template <class T, class VecS>
-Vector<RealD> lat_data_get_const(const LatDataT<T>& ld, const VecS& idx)
+Vector<T> lat_data_get_const(const LatDataT<T>& ld, const VecS& idx)
 // Be cautious about the const property
 // 改不改靠自觉
 {

{qlat_utils-0.76 → qlat_utils-0.78}/qlat_utils/include/qlat-utils/qacc-func.h

@@ -18,15 +18,15 @@ API inline int& qacc_num_threads()
 
 #define qfor(iter1, num, ...)                    \
   {                                              \
-    for (Long iter1 = 0; iter1 < num; ++iter1) { \
+    for (qlat::Long iter1 = 0; iter1 < num; ++iter1) { \
       {__VA_ARGS__};                             \
     }                                            \
   }
 
 #define qfor2d(iter1, num1, iter2, num2, ...)       \
   {                                                 \
-    for (Long iter1 = 0; iter1 < num1; ++iter1) {   \
-      for (Long iter2 = 0; iter2 < num2; ++iter2) { \
+    for (qlat::Long iter1 = 0; iter1 < num1; ++iter1) {   \
+      for (qlat::Long iter2 = 0; iter2 < num2; ++iter2) { \
         {__VA_ARGS__};                              \
       }                                             \
     }                                               \
@@ -37,7 +37,7 @@ API inline int& qacc_num_threads()
 #define qthread_for(iter1, num, ...)             \
   {                                              \
   q_do_pragma(omp parallel for schedule(static)) \
-  for (Long iter1 = 0; iter1 < num; ++iter1)     \
+  for (qlat::Long iter1 = 0; iter1 < num; ++iter1)     \
     {                                            \
       {__VA_ARGS__};                             \
     }                                            \
@@ -46,9 +46,9 @@ API inline int& qacc_num_threads()
 #define qthread_for2d(iter1, num1, iter2, num2, ...) \
   {                                                  \
   q_do_pragma(omp parallel for collapse(2))           \
-  for (Long iter1 = 0; iter1 < num1; ++iter1)        \
+  for (qlat::Long iter1 = 0; iter1 < num1; ++iter1)        \
     {                                                \
-      for (Long iter2 = 0; iter2 < num2; ++iter2) {  \
+      for (qlat::Long iter2 = 0; iter2 < num2; ++iter2) {  \
         {__VA_ARGS__};                               \
       }                                              \
     }                                                \
@@ -65,7 +65,7 @@ API inline int& qacc_num_threads()
 #define qacc_for2dNB(iter1, num1, iter2, num2, ...)                           \
   {                                                                           \
     if ((num1 != 0) and (num2 != 0)) {                                        \
-      typedef Long QACC_FOR_LOOP_ITERATOR;                                    \
+      typedef qlat::Long QACC_FOR_LOOP_ITERATOR;                                    \
       auto QACC_FOR_LOOP_LAMBDA = [=] __host__ __device__(                    \
                                       QACC_FOR_LOOP_ITERATOR iter1,           \
                                       QACC_FOR_LOOP_ITERATOR iter2) mutable { \

{qlat_utils-0.76 → qlat_utils-0.78}/qlat_utils/include/qlat-utils/show.h

@@ -459,6 +459,34 @@ inline std::string info_get_prop(const std::vector<std::string>& lines,
   }
 }
 
+inline bool starts_with(const std::string& str, const std::string& prefix) {
+  return str.size() >= prefix.size() &&
+    str.compare(0, prefix.size(), prefix) == 0;
+}
+
+inline bool ends_with(const std::string& str, const std::string& suffix) {
+  if (str.size() < suffix.size()) {
+    return false;
+  }
+  return (str.substr(str.size() - suffix.size()) == suffix);
+}
+
+inline std::string remove_prefix(const std::string& str, const std::string& prefix) {
+  if (str.size() >= prefix.size() &&
+      str.compare(0, prefix.size(), prefix) == 0) {
+    return str.substr(prefix.size());
+  }
+  return str;
+}
+
+inline std::string remove_suffix(const std::string& str, const std::string& suffix) {
+  if (str.size() >= suffix.size() &&
+      str.compare(str.size() - suffix.size(), suffix.size(), suffix) == 0) {
+    return str.substr(0, str.size() - suffix.size());
+  }
+  return str;
+}
+
 inline void display_c_stdout(const std::string& str)
 {
   fwrite(str.c_str(), 1, str.size(), stdout);

{qlat_utils-0.76 → qlat_utils-0.78}/qlat_utils/include/qlat-utils/timer.h

@@ -368,7 +368,7 @@ struct API Timer {
   // qlat parameter
   {
     static Long max_call_times =
-        get_env_long_default("q_timer_max_always_show", 10);
+      get_env_long_default("q_timer_max_always_show", 2);
     return max_call_times;
   }
   //

{qlat_utils-0.76 → qlat_utils-0.78}/qlat_utils/json.py

@@ -1,19 +1,20 @@
 import json
-
-# Mathspp Blog
-# https://mathspp.com/blog/custom-json-encoder-and-decoder
-
-# With modifications to add np.ndarray support
-
 import numpy as np
 
+"""
+Mathspp Blog
+https://mathspp.com/blog/custom-json-encoder-and-decoder
+#
+With modifications to add np.ndarray support
+"""
+
 class ExtendedEncoder(json.JSONEncoder):
     def default(self, obj):
         name = type(obj).__name__
         try:
             encoder = getattr(self, f"encode_{name}")
         except AttributeError:
-            super().default(obj)
+            return super().default(obj)
         else:
             encoded = encoder(obj)
             encoded["__extended_json_type__"] = name
@@ -71,6 +72,8 @@ class QlatDecoder(ExtendedDecoder):
 def json_dumps(obj, *, indent=None):
     """
     return str dumped from `obj`
+    #
+    indent (int | str | None)
     """
     return json.dumps(obj, indent=indent, cls=QlatEncoder)
 

{qlat_utils-0.76 → qlat_utils-0.78}/qlat_utils/lib/env.cpp

@@ -19,10 +19,10 @@ std::string get_env_default(const std::string& var_name, const std::string& x0)
   const std::string val = get_env(var_name);
   if (val == "") {
     displayln_info(0,
-                   ssprintf("%s='%s' (default)", var_name.c_str(), x0.c_str()));
+                   ssprintf("QLAT: get_env_default: %s='%s' (default)", var_name.c_str(), x0.c_str()));
     return x0;
   } else {
-    displayln_info(0, ssprintf("%s='%s'", var_name.c_str(), val.c_str()));
+    displayln_info(0, ssprintf("QLAT: get_env_default: %s='%s'", var_name.c_str(), val.c_str()));
     return val;
   }
 }
@@ -33,10 +33,10 @@ double get_env_double_default(const std::string& var_name, const double x0)
   double x;
   if (val == "") {
     x = x0;
-    displayln_info(0, ssprintf("%s=%lG (default)", var_name.c_str(), x));
+    displayln_info(0, ssprintf("QLAT: get_env_double_default: %s=%lG (default)", var_name.c_str(), x));
   } else {
     x = read_double(val);
-    displayln_info(0, ssprintf("%s=%lG", var_name.c_str(), x));
+    displayln_info(0, ssprintf("QLAT: get_env_double_default: %s=%lG", var_name.c_str(), x));
   }
   return x;
 }
@@ -47,10 +47,10 @@ Long get_env_long_default(const std::string& var_name, const Long x0)
   Long x;
   if (val == "") {
     x = x0;
-    displayln_info(0, ssprintf("%s=%ld (default)", var_name.c_str(), x));
+    displayln_info(0, ssprintf("QLAT: get_env_long_default: %s=%ld (default)", var_name.c_str(), x));
   } else {
     x = read_long(val);
-    displayln_info(0, ssprintf("%s=%ld", var_name.c_str(), x));
+    displayln_info(0, ssprintf("QLAT: get_env_long_default: %s=%ld", var_name.c_str(), x));
   }
   return x;
 }

{qlat_utils-0.76 → qlat_utils-0.78}/qlat_utils/lib/timer.cpp

@@ -23,11 +23,18 @@ void TimerInfo::merge(const TimerInfo& x)
   call_times += x.call_times;
 }
 
+static std::string get_fname_cut(const std::string& fname, const int fname_len)
+{
+  if (fname_len >= fname.length()) {
+    return fname;
+  }
+  return fname.substr(fname.length() - fname_len);
+}
+
 void TimerInfo::show_start(const int fname_len) const
 {
   double total_time = get_total_time();
-  std::string fnameCut;
-  fnameCut.assign(fname, 0, fname_len);
+  const std::string fnameCut = get_fname_cut(fname, fname_len);
   displayln_info(ssprintf(
       "Timer::start %s :%5.1f%% %8d calls %.3E,%.3E sec %8.3f Gflops (%.3E "
       "flops)",
@@ -40,8 +47,7 @@ void TimerInfo::show_start(const int fname_len) const
 void TimerInfo::show_stop(const int fname_len) const
 {
   double total_time = get_total_time();
-  std::string fnameCut;
-  fnameCut.assign(fname, 0, fname_len);
+  const std::string fnameCut = get_fname_cut(fname, fname_len);
   displayln_info(ssprintf(
       "Timer::stop  %s :%5.1f%% %8d calls %.3E,%.3E sec %8.3f Gflops (%.3E "
       "flops)",
@@ -54,8 +60,7 @@ void TimerInfo::show_avg_always(const std::string& info,
                                 const int fname_len) const
 {
   double total_time = get_total_time();
-  std::string fnameCut;
-  fnameCut.assign(fname, 0, fname_len);
+  const std::string fnameCut = get_fname_cut(fname, fname_len);
   displayln_c_stdout(ssprintf(
       "Timer::%s %s :%7.3f%% %8d calls; %.2E,%.2E sec; %.2E,%.2E flops; "
       "%5.2f Gflops",
@@ -71,8 +76,7 @@ void TimerInfo::show_avg(const std::string& info, const int fname_len) const
 {
   if (0 == get_id_node() && 0 == get_id_thread()) {
     double total_time = get_total_time();
-    std::string fnameCut;
-    fnameCut.assign(fname, 0, fname_len);
+    const std::string fnameCut = get_fname_cut(fname, fname_len);
     displayln_info(ssprintf(
         "Timer::%s %s :%7.3f%% %8d calls; %.2E,%.2E sec; %.2E,%.2E flops; "
         "%5.2f Gflops",

{qlat_utils-0.76 → qlat_utils-0.78}/qlat_utils/lib/version_gen.sh

@@ -12,7 +12,7 @@ cd "$src_dir"
 if git describe --tags ; then
     version="$(git describe --tags)"
 else
-    version="v0.76-current" # default version
+    version="v0.78-current" # default version
 fi
 
 cd "$wd"

{qlat_utils-0.76 → qlat_utils-0.78}/qlat_utils/meson.build

@@ -6,14 +6,13 @@ tempita = files('tempita.py')
 
 init_files = files(
   '__init__.py',
-)
+  )
 
 py_files = files(
   'ama.py',
   'cache.py',
   'c.py',
   'data.py',
-  'get_include_dir.py',
   'load_prop.py',
   'lru_cache.py',
   '__main__.py',
@@ -23,6 +22,7 @@ py_files = files(
   'utils.py',
   'json.py',
   'q_fit_corr.py',
+  'q_fit_corr_2.py',
   'q_hlt_reconstruction.py',
   )
 

{qlat_utils-0.76 → qlat_utils-0.78}/qlat_utils/parallel.py

@@ -1,6 +1,6 @@
-from qlat_utils.cache import *
-from qlat_utils.rng_state import *
-from qlat_utils.utils import *
+from .cache import *
+from .rng_state import *
+from .utils import *
 
 import sys
 import os
@@ -34,27 +34,35 @@ def process_initialization():
     # gc_freeze()
     # clear_all_caches()
 
+q_num_mp_processes = None
+
 def get_q_num_mp_processes():
-    global get_q_num_mp_processes
+    global q_num_mp_processes
+    if q_num_mp_processes is not None:
+        return q_num_mp_processes
     s = getenv("q_num_mp_processes", "q_num_threads", "OMP_NUM_THREADS", default="2")
     v = int(s)
-    get_q_num_mp_processes = lambda : v
+    q_num_mp_processes = v
     return v
 
 def set_q_num_mp_processes(v):
-    global get_q_num_mp_processes
-    get_q_num_mp_processes = lambda : v
+    global q_num_mp_processes
+    q_num_mp_processes = v
+
+q_verbose_parallel_map = None
 
 def get_q_verbose_parallel_map():
-    global get_q_verbose_parallel_map
+    global q_verbose_parallel_map
+    if q_verbose_parallel_map is not None:
+        return q_verbose_parallel_map
     s = getenv("q_verbose_parallel_map", default="2")
     v = int(s)
-    get_q_verbose_parallel_map = lambda : v
+    q_verbose_parallel_map = v
     return v
 
 def set_q_verbose_parallel_map(v):
-    global get_q_verbose_parallel_map
-    get_q_verbose_parallel_map = lambda : v
+    global q_verbose_parallel_map
+    q_verbose_parallel_map = v
 
 @timer
 def parallel_map(func, iterable,

{qlat_utils-0.76 → qlat_utils-0.78}/qlat_utils/q_fit_corr.py

@@ -24,12 +24,12 @@ def mk_data_set(*, n_jk=10, n_ops=4, n_energies=4, t_size=4, sigma=0.1, rng=None
     corr_data = (coefs[:, :, None, None] * coefs[:, None, :, None]
                  * np.exp(-energies[:, None, None, None] * t_arr)
                  ).sum(0)
-    corr_data_sigma = np.zeros((n_ops, n_ops, t_size,), dtype=float) + sigma
+    corr_data_sigma = np.zeros((n_ops, n_ops, t_size,), dtype=np.float64) + sigma
     #
-    jk_corr_data = np.empty((n_jk, n_ops, n_ops, t_size,), dtype=float)
+    jk_corr_data = np.empty((n_jk, n_ops, n_ops, t_size,), dtype=np.float64)
     jk_corr_data = corr_data + rng.g_rand_arr((n_jk, n_ops, n_ops, t_size,)) * corr_data_sigma
     #
-    param_arr = np.concatenate([ energies, coefs.ravel(), ], dtype=float)
+    param_arr = np.concatenate([ energies, coefs.ravel(), ], dtype=np.float64)
     return param_arr, jk_corr_data, corr_data_sigma
 
 @timer
@@ -130,7 +130,7 @@ def mk_fcn(
     corr_data_sigma.shape == (n_ops, n_ops, t_size,)
     t_start_arr is the start tslice of the corr_data (energy dependent array, t_start_arr for negative_energy ~ -t_size)
     atw_t_start_arr is the start tslice of the ATW (around the world effects) corr_data (be default atw_t_start_arr = t_start_arr)
-    atw_factor_arr is the additional factor needs to be multiplied to the ATW term (be default `atw_factor_arr = jnp.ones(n_ops, dtype=jnp.float64)`)
+    atw_factor_arr is the additional factor needs to be multiplied to the ATW term (by default `atw_factor_arr = jnp.ones(n_ops, dtype=jnp.float64)`)
     return fcn
     fcn(param_arr) => chisq, param_grad_arr
     e.g.