Refactoring green-grids version checks

src/green/sc/common_defs.h

@@ -84,34 +84,5 @@ namespace green::sc {
     p.define<bool>("const_density", "Maintain constant number of electrons through iterations", true);
   }
 
-  inline int compare_version_strings(const std::string& v1, const std::string& v2) {
-    int major_V1 = 0, minor_V1 = 0, patch_V1 = 0;
-    int major_V2 = 0, minor_V2 = 0, patch_V2 = 0;
-
-    char suffix_V1[32] = "";
-    char suffix_V2[32] = "";
-
-    int parsed_1 = std::sscanf(v1.c_str(), "%d.%d.%d%30s", &major_V1, &minor_V1, &patch_V1, suffix_V1);
-    int parsed_2 = std::sscanf(v2.c_str(), "%d.%d.%d%30s", &major_V2, &minor_V2, &patch_V2, suffix_V2);
-
-    if (parsed_1 < 3) {
-      throw std::runtime_error("First version string (v1) failed to parse: '" + v1 + "'. Expected format: major.minor.patch[suffix]");
-    }
-    if (parsed_2 < 3) {
-      throw std::runtime_error("Second version string (v2) failed to parse: '" + v2 + "'. Expected format: major.minor.patch[suffix]");
-    }
-
-    if (major_V1 != major_V2) {
-      return major_V1 > major_V2 ? 1 : -1;
-    }
-    if (minor_V1 != minor_V2) {
-      return minor_V1 > minor_V2 ? 1 : -1;
-    }
-    if (patch_V1 != patch_V2) {
-      return patch_V1 > patch_V2 ? 1 : -1;
-    }
-
-    return 0;
-  }
 }  // namespace green::sc
 #endif  // GREEN_SC_COMMON_DEFS_H

src/green/sc/except.h

@@ -35,11 +35,6 @@ namespace green::sc {
     explicit sc_diis_vsp_error(const std::string& what) : std::runtime_error(what) {}
   };
 
-  class outdated_results_file_error : public std::runtime_error {
-  public:
-    explicit outdated_results_file_error(const std::string& what) : std::runtime_error(what) {}
-  };
-
 }  // namespace green::sc
 
 #endif  // GREEN_SC_EXCEPT_H

src/green/sc/sc_loop.h

@@ -78,7 +78,7 @@ namespace green::sc {
         _itermax(p["itermax"]), _iter(0), _e_thr(p["threshold"]), _e_thr_sp(p["E_thr_sp"]), _input_path(p["input_file"]),
         _results_file(p["results_file"]), _restart(p["restart"]), _dyson_solver(p), _mix(p), _context(comm) {
       if (_restart) {
-        check_grids_version_consistency();
+        green::grids::check_grids_version_in_hdf5(_results_file, _dyson_solver.get_grids_version());
       }
     }
 
@@ -182,52 +182,6 @@ namespace green::sc {
       ar.close();
     }
 
-    /**
-     * @brief Checks consistency between grid-file version used in current run vs. the version
-     * used to generate the results file that is being restarted from.
-     * This is to prevent users from accidentally restarting from a results file that was generated with
-     * an older version of green-grids, which can lead to silent errors in the results.
-     * 
-     * 1. If the results file does not have a green-grids version attribute, treat it as having been
-     *    generated with the baseline grids version (GRIDS_MIN_VERSION, currently 0.2.4) and check
-     *    that the current grid-file version is not newer; otherwise an error is raised.
-     * 2. If the results file has a green-grids version attribute, compare that version with the current
-     *    grid-file version and distinguish older, equal, and newer cases, allowing only compatible
-     *    combinations and throwing specific errors when there is a mismatch.
-     */
-    void check_grids_version_consistency() {
-      // If results file does not exist, nothing to check
-      if (!std::filesystem::exists(_results_file)) return;
-
-      // Read grid-file version
-      const std::string& grid_file_version = _dyson_solver.get_grids_version();
-
-      h5pp::archive ar(_results_file, "r");
-      if (ar.has_attribute("__grids_version__")) {
-        std::string grids_version_in_results;
-        grids_version_in_results = ar.get_attribute<std::string>("__grids_version__");
-        ar.close(); // safely close before throwing
-        if (compare_version_strings(grid_file_version, grids_version_in_results) < 0) {
-          throw green::grids::outdated_grids_file_error("The current green-grids version (" + grid_file_version +
-                                            ") is older than the green-grids version used to create the original results file ("
-                                            + grids_version_in_results +
-                                            "). Please update green-grids to version " + grids_version_in_results);
-        } else if (compare_version_strings(grid_file_version, grids_version_in_results) > 0) {
-          throw outdated_results_file_error("The green-grids version used to create the results file (" + grids_version_in_results +
-                                            ") is older than the current specified grid file (" + grid_file_version +
-                                            "). Please download the appropriate version from: " +
-                                            "https://github.com/Green-Phys/green-grids/releases/ or https://github.com/Green-Phys/green-grids/tags");
-        }
-      } else if (compare_version_strings(grid_file_version, green::grids::GRIDS_MIN_VERSION) > 0) {
-        ar.close(); // safely close before throwing
-        throw outdated_results_file_error("The results file was created using un-versioned grid file (equiv. to " + green::grids::GRIDS_MIN_VERSION +
-                                          ") and the current green-grids version (" + grid_file_version + ") is newer.\n" + 
-                                          "Please use old grid files from: https://github.com/Green-Phys/green-grids/releases/tag/v0.2.4.");
-      } else {
-        ar.close();
-      }
-    }
-
     DysonSolver& dyson_solver() { return _dyson_solver; }
   };
 }  // namespace green::sc

test/sc_test.cpp

@@ -350,7 +350,7 @@ TEST_CASE("Self-consistency") {
       p5.parse(args_2);
       // Initialize p5 from args_2 (using the new grid file) and attempt to restart from res_file_2,
       // which was created with an older grid file; this should trigger outdated_results_file_error.
-      REQUIRE_THROWS_AS(green::sc::sc_loop<fourth_power_equation_dyson>(MPI_COMM_WORLD, p5), green::sc::outdated_results_file_error);
+      REQUIRE_THROWS_AS(green::sc::sc_loop<fourth_power_equation_dyson>(MPI_COMM_WORLD, p5), green::grids::outdated_results_file_error);
     }
 
     // Clean up