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Description: _set_potentials_path
Index: lammps-0~20220106.git7586adbb6a/src/ML-IAP/mliap_model_python.cpp
===================================================================
--- lammps-0~20220106.git7586adbb6a.orig/src/ML-IAP/mliap_model_python.cpp
+++ lammps-0~20220106.git7586adbb6a/src/ML-IAP/mliap_model_python.cpp
@@ -61,7 +61,7 @@ MLIAPModelPython::MLIAPModelPython(LAMMP
PyList_Append(py_path, PY_STRING_FROM_STRING("."));
// if LAMMPS_POTENTIALS environment variable is set, add it to PYTHONPATH as well
- const char *potentials_path = getenv("LAMMPS_POTENTIALS");
+ const char *potentials_path = "/usr/share/lammps/potentials";
if (potentials_path != NULL) { PyList_Append(py_path, PY_STRING_FROM_STRING(potentials_path)); }
PyGILState_Release(gstate);
Index: lammps-0~20220106.git7586adbb6a/src/PYTHON/pair_python.cpp
===================================================================
--- lammps-0~20220106.git7586adbb6a.orig/src/PYTHON/pair_python.cpp
+++ lammps-0~20220106.git7586adbb6a/src/PYTHON/pair_python.cpp
@@ -59,7 +59,7 @@ PairPython::PairPython(LAMMPS *lmp) : Pa
// if LAMMPS_POTENTIALS environment variable is set,
// add it to PYTHONPATH as well
- const char *potentials_path = getenv("LAMMPS_POTENTIALS");
+ const char *potentials_path = "/usr/share/lammps/potentials";
if (potentials_path != nullptr) {
PyList_Append(py_path, PY_STRING_FROM_STRING(potentials_path));
}
Index: lammps-0~20220106.git7586adbb6a/src/utils.cpp
===================================================================
--- lammps-0~20220106.git7586adbb6a.orig/src/utils.cpp
+++ lammps-0~20220106.git7586adbb6a/src/utils.cpp
@@ -1106,7 +1106,7 @@ std::string utils::get_potential_file_pa
return filepath;
} else {
// try the environment variable directory
- const char *var = getenv("LAMMPS_POTENTIALS");
+ const char *var = "/usr/share/lammps/potentials";
if (var != nullptr) {
#if defined(_WIN32)
Index: lammps-0~20220106.git7586adbb6a/unittest/utils/test_utils.cpp
===================================================================
--- lammps-0~20220106.git7586adbb6a.orig/unittest/utils/test_utils.cpp
+++ lammps-0~20220106.git7586adbb6a/unittest/utils/test_utils.cpp
@@ -799,7 +799,7 @@ TEST(Utils, potential_file)
ASSERT_THAT(utils::get_potential_file_path("ctest1.txt"), Eq("ctest1.txt"));
ASSERT_THAT(utils::get_potential_file_path("no_such_file.txt"), Eq(""));
- const char *folder = getenv("LAMMPS_POTENTIALS");
+ const char *folder = "/usr/share/lammps/potentials";
if (folder != nullptr) {
std::string path = utils::path_join(folder, "Cu_u3.eam");
EXPECT_THAT(utils::get_potential_file_path("Cu_u3.eam"), Eq(path));
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