restore non related files

deepmodeling · Sep 27, 2024 · 8694476 · 8694476
1 parent 72241ea
commit 8694476
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Showing 5 changed files with 5 additions and 13 deletions.
diff --git a/source/api_cc/src/DeepPot.cc b/source/api_cc/src/DeepPot.cc
@@ -49,7 +49,6 @@ void DeepPot::init(const std::string& model,
   } else {
     throw deepmd::deepmd_exception("Unsupported model file format");
   }
-
   if (deepmd::DPBackend::TensorFlow == backend) {
 #ifdef BUILD_TENSORFLOW
     dp = std::make_shared<deepmd::DeepPotTF>(model, gpu_rank, file_content);

diff --git a/source/api_cc/src/common.cc b/source/api_cc/src/common.cc
@@ -10,7 +10,6 @@
 
 #include "AtomMap.h"
 #include "device.h"
-#include <numeric>
 #if defined(_WIN32)
 #if defined(_WIN32_WINNT)
 #undef _WIN32_WINNT

diff --git a/source/install/test_cc_local.sh b/source/install/test_cc_local.sh
@@ -19,7 +19,7 @@ BUILD_TMP_DIR=${SCRIPT_PATH}/../build_tests
 mkdir -p ${BUILD_TMP_DIR}
 cd ${BUILD_TMP_DIR}
 cmake \
-	-D ENABLE_TENSORFLOW=False \
+	-D ENABLE_TENSORFLOW=TRUE \
 	-D ENABLE_PYTORCH=TRUE \
 	-D INSTALL_TENSORFLOW=FALSE \
 	-D USE_TF_PYTHON_LIBS=TRUE \

diff --git a/source/lmp/pair_deepmd.cpp b/source/lmp/pair_deepmd.cpp
@@ -23,7 +23,6 @@
 #include "neighbor.h"
 #include "output.h"
 #include "update.h"
-// #include <boost/stacktrace.hpp>
 #if LAMMPS_VERSION_NUMBER >= 20210831
 // in lammps #2902, fix_ttm members turns from private to protected
 #define USE_TTM 1
@@ -495,6 +494,7 @@ void PairDeepMD::compute(int eflag, int vflag) {
       }
     }
   }
+
   vector<int> dtype(nall);
   for (int ii = 0; ii < nall; ++ii) {
     dtype[ii] = type_idx_map[type[ii] - 1];
@@ -975,14 +975,9 @@ void PairDeepMD::settings(int narg, char **arg) {
   numb_models = models.size();
   if (numb_models == 1) {
     try {
-      auto node_rank = get_node_rank();
-      auto content = get_file_content(arg[0]);
-      deep_pot.init(arg[0], node_rank, content);
-    } catch (const std::exception &e) {
+      deep_pot.init(arg[0], get_node_rank(), get_file_content(arg[0]));
+    } catch (deepmd_compat::deepmd_exception &e) {
       error->one(FLERR, e.what());
-      // std::cerr << "Standard exception caught: " << e.what() << std::endl;
-      // // 打印堆栈跟踪信息
-      // std::cerr << "Stack trace:\n" << boost::stacktrace::stacktrace() << std::endl;
     }
     cutoff = deep_pot.cutoff() * dist_unit_cvt_factor;
     numb_types = deep_pot.numb_types();

diff --git a/source/op/pt/comm.cc b/source/op/pt/comm.cc
@@ -6,8 +6,7 @@
 #include <mpi-ext.h>
 #endif
 #endif
-#include "paddle/extension.h"
-#include "paddle/include/paddle_inference_api.h"
+#include <torch/torch.h>
 
 #include <cstdint>