Merge branch 'devel' into add_ae_ap

.pre-commit-config.yaml

@@ -29,7 +29,7 @@ repos:
         exclude: ^source/3rdparty
   - repo: https://github.com/astral-sh/ruff-pre-commit
     # Ruff version.
-    rev: v0.4.3
+    rev: v0.4.4
     hooks:
       - id: ruff
         args: ["--fix"]
@@ -52,7 +52,7 @@ repos:
       - id: blacken-docs
   # C++
   - repo: https://github.com/pre-commit/mirrors-clang-format
-    rev: v18.1.4
+    rev: v18.1.5
     hooks:
       - id: clang-format
         exclude: ^source/3rdparty|source/lib/src/gpu/cudart/.+\.inc

deepmd/utils/argcheck.py

@@ -2064,7 +2064,7 @@ def training_data_args():  # ! added by Ziyao: new specification style for data
 - int: all {link_sys} use the same batch size.\n\n\
 - string "auto": automatically determines the batch size so that the batch_size times the number of atoms in the system is no less than 32.\n\n\
 - string "auto:N": automatically determines the batch size so that the batch_size times the number of atoms in the system is no less than N.\n\n\
-- string "mixed:N": the batch data will be sampled from all systems and merged into a mixed system with the batch size N. Only support the se_atten descriptor.\n\n\
+- string "mixed:N": the batch data will be sampled from all systems and merged into a mixed system with the batch size N. Only support the se_atten descriptor for Tensorflow backend.\n\n\
 If MPI is used, the value should be considered as the batch size per task.'
     doc_auto_prob_style = 'Determine the probability of systems automatically. The method is assigned by this key and can be\n\n\
 - "prob_uniform"  : the probability all the systems are equal, namely 1.0/self.get_nsystems()\n\n\

source/api_cc/src/common.cc

@@ -329,8 +329,8 @@ void deepmd::check_status(const tensorflow::Status& status) {
 
 void throw_env_not_set_warning(std::string env_name) {
   std::cerr << "DeePMD-kit WARNING: Environmental variable " << env_name
-            << " is not set. " << "Tune " << env_name
-            << " for the best performance. "
+            << " is not set. "
+            << "Tune " << env_name << " for the best performance. "
             << "See https://deepmd.rtfd.io/parallelism/ for more information."
             << std::endl;
 }
@@ -1347,11 +1347,14 @@ void deepmd::print_summary(const std::string& pre) {
   std::cout << pre << "source commit at:   " + global_git_date << "\n";
   std::cout << pre << "support model ver.: " + global_model_version << "\n";
 #if defined(GOOGLE_CUDA)
-  std::cout << pre << "build variant:      cuda" << "\n";
+  std::cout << pre << "build variant:      cuda"
+            << "\n";
 #elif defined(TENSORFLOW_USE_ROCM)
-  std::cout << pre << "build variant:      rocm" << "\n";
+  std::cout << pre << "build variant:      rocm"
+            << "\n";
 #else
-  std::cout << pre << "build variant:      cpu" << "\n";
+  std::cout << pre << "build variant:      cpu"
+            << "\n";
 #endif
 #ifdef BUILD_TENSORFLOW
   std::cout << pre << "build with tf inc:  " + global_tf_include_dir << "\n";

source/ipi/driver.cc

@@ -126,17 +126,20 @@ int main(int argc, char *argv[]) {
       if (!isinit) {
         writebuffer_(&socket, msg_needinit, MSGLEN);
         if (b_verb) {
-          std::cout << "# send back  " << "NEEDINIT" << std::endl;
+          std::cout << "# send back  "
+                    << "NEEDINIT" << std::endl;
         }
       } else if (hasdata) {
         writebuffer_(&socket, msg_havedata, MSGLEN);
         if (b_verb) {
-          std::cout << "# send back  " << "HAVEDATA" << std::endl;
+          std::cout << "# send back  "
+                    << "HAVEDATA" << std::endl;
         }
       } else {
         writebuffer_(&socket, msg_ready, MSGLEN);
         if (b_verb) {
-          std::cout << "# send back  " << "READY" << std::endl;
+          std::cout << "# send back  "
+                    << "READY" << std::endl;
         }
       }
     } else if (header_str == "INIT") {