Merge pull request #2748 from akohlmey/collected-small-changes

Collected small changes and fixes for the next patch release

cmake/Modules/OpenCLLoader.cmake

@@ -1,6 +1,6 @@
 message(STATUS "Downloading and building OpenCL loader library")
-set(OPENCL_LOADER_URL "${LAMMPS_THIRDPARTY_URL}/opencl-loader-2021.04.29.tar.gz" CACHE STRING "URL for OpenCL loader tarball")
-set(OPENCL_LOADER_MD5 "bd0bcd6c0989bffc24c76c2e0d67d2c6" CACHE STRING "MD5 checksum of OpenCL loader tarball")
+set(OPENCL_LOADER_URL "${LAMMPS_THIRDPARTY_URL}/opencl-loader-2021.05.02.tar.gz" CACHE STRING "URL for OpenCL loader tarball")
+set(OPENCL_LOADER_MD5 "29180b05056578afda92f0d394c3a373" CACHE STRING "MD5 checksum of OpenCL loader tarball")
 mark_as_advanced(OPENCL_LOADER_URL)
 mark_as_advanced(OPENCL_LOADER_MD5)
 

src/info.cpp

@@ -39,6 +39,7 @@
 #include "pair.h"
 #include "pair_hybrid.h"
 #include "region.h"
+#include "text_file_reader.h"
 #include "update.h"
 #include "variable.h"
 
@@ -1261,7 +1262,25 @@ std::string Info::get_os_info()
 #else
   struct utsname ut;
   uname(&ut);
-  buf = fmt::format("{} {} on {}", ut.sysname, ut.release, ut.machine);
+
+  // try to get OS distribution name, if available
+  std::string distro = ut.sysname;
+  if (utils::file_is_readable("/etc/os-release")) {
+    try {
+        TextFileReader reader("/etc/os-release","");
+        while (1) {
+          auto words = reader.next_values(0,"=");
+          if ((words.count() > 1) && (words.next_string() == "PRETTY_NAME")) {
+            distro += " " + utils::trim(words.next_string());
+            break;
+          }
+        }
+    } catch (std::exception &e) {
+      ; // EOF but keyword not found
+    }
+  }
+
+  buf = fmt::format("{} {} on {}", distro, ut.release, ut.machine);
 #endif
   return buf;
 }

unittest/cplusplus/test_lammps_class.cpp

@@ -99,7 +99,6 @@ TEST_F(LAMMPS_plain, InitMembers)
         EXPECT_STREQ(LAMMPS::git_branch, "(unknown)");
         EXPECT_STREQ(LAMMPS::git_descriptor, "(unknown)");
     }
-    EXPECT_EQ(lmp->comm->nthreads, 1);
 }
 
 TEST_F(LAMMPS_plain, TestStyles)
@@ -234,9 +233,6 @@ TEST_F(LAMMPS_omp, InitMembers)
         EXPECT_STREQ(LAMMPS::git_branch, "(unknown)");
         EXPECT_STREQ(LAMMPS::git_descriptor, "(unknown)");
     }
-#if 0  // temporarily disabled. MacOS behaves different from Linux here.
-    EXPECT_EQ(lmp->comm->nthreads, 2);
-#endif
 }
 
 // test fixture for Kokkos tests
@@ -326,10 +322,10 @@ TEST_F(LAMMPS_kokkos, InitMembers)
     }
 }
 
-// check if Comm::nthreads is initialized to either 1 or 2 (from the previous tests)
 TEST(LAMMPS_init, OpenMP)
 {
     if (!LAMMPS::is_installed_pkg("USER-OMP")) GTEST_SKIP();
+    if (Info::get_openmp_info() == "OpenMP not enabled") GTEST_SKIP();
 
     FILE *fp = fopen("in.lammps_empty", "w");
     fputs("\n", fp);

unittest/force-styles/tests/dihedral-table_cut_linear.yaml

@@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Mar 2021
 date_generated: Tue Mar 23 08:05:02 202
-epsilon: 1e-14
+epsilon: 2e-14
 prerequisites: ! |
   atom full
   dihedral table/cut

unittest/force-styles/tests/dihedral-table_cut_spline.yaml

@@ -1,7 +1,7 @@
 ---
 lammps_version: 10 Mar 2021
 date_generated: Tue Mar 23 08:06:45 202
-epsilon: 1e-14
+epsilon: 2e-14
 prerequisites: ! |
   atom full
   dihedral table/cut