add c-library interface and export to python

python/lammps/core.py

@@ -243,6 +243,7 @@ class lammps(object):
     self.lib.lammps_encode_image_flags.restype = self.c_imageint
 
     self.lib.lammps_config_package_name.argtypes = [c_int, c_char_p, c_int]
+    self.lib.lammps_config_accelerator.argtypes = [c_char_p, c_char_p, c_char_p]
 
     self.lib.lammps_set_variable.argtypes = [c_void_p, c_char_p, c_char_p]
 
@@ -1435,6 +1436,33 @@ class lammps(object):
 
   # -------------------------------------------------------------------------
 
+  @property
+  def accelerator_config(self):
+    """ Return table with available accelerator configuration settings.
+
+    This is a wrapper around the :cpp:func:`lammps_config_accelerator`
+    function of the library interface which loops over all known packages
+    and settings and returns enabled features as a nested dictionary.
+
+    :return: nested dictionary with all known enabled settings
+    :rtype: dictionary
+    """
+
+    result = {}
+    for p in [b'GPU', b'KOKKOS', b'USER-INTEL', b'USER-OMP']:
+      c = b'api'
+      result[p.decode()] = {}
+      for s in [b'cuda', b'hip', b'pthreads', b'opencl', b'openmp']:
+        if self.lib.lammps_config_accelerator(p,c,s):
+          result[p.decode()][c.decode()] = s.decode()
+      c = b'precision'
+      for s in [b'double', b'mixed', b'single']:
+        if self.lib.lammps_config_accelerator(p,c,s):
+          result[p.decode()][c.decode()] = s.decode()
+    return result
+
+  # -------------------------------------------------------------------------
+
   @property
   def installed_packages(self):
     """ List of the names of enabled packages in the LAMMPS shared library

src/library.cpp

@@ -4303,6 +4303,31 @@ int lammps_config_package_name(int idx, char *buffer, int buf_size) {
   return 1;
 }
 
+/** Check for compile time settings in accelerator packages included in LAMMPS.
+ *
+\verbatim embed:rst
+This function checks availability of compile time settings of included
+:doc:`accelerator packages <Speed_packages>` in LAMMPS.
+Supported packages names are "GPU", "KOKKOS", "USER-INTEL", and "USER-OMP".
+Supported categories are "api" with possible settings "cuda", "hip", "knl",
+"pthreads", "opencl", "openmp", and "none", and "precision" with
+possible settings "double", "mixed", and "single".  If the combination
+of package, category, and setting is available, the function returns 1,
+otherwise 0.
+\endverbatim
+ *
+ * \param  package   string with the name of the accelerator package
+ * \param  category  string with the category name of the setting
+ * \param  setting   string with the name of the specific setting
+ * \return 1 if available, 0 if not.
+ */
+int lammps_config_accelerator(const char *package,
+                              const char *category,
+                              const char *setting)
+{
+  return Info::has_accelerator_feature(package,category,setting) ? 1 : 0;
+}
+
 /* ---------------------------------------------------------------------- */
 
 /** Check if a specific style has been included in LAMMPS

src/library.h

@@ -195,6 +195,8 @@ int lammps_config_has_package(const char *);
 int lammps_config_package_count();
 int lammps_config_package_name(int, char *, int);
 
+int lammps_config_accelerator(const char *, const char *, const char *);
+
 int lammps_has_style(void *, const char *, const char *);
 int lammps_style_count(void *, const char *);
 int lammps_style_name(void *, const char *, int, char *, int);