CI: Add gcc-14 and run on Ubuntu-24.04 (#59)

.github/workflows/ci-checks.yml

@@ -33,7 +33,7 @@ jobs:
                   cppcheck --force --language=c++ --std=c++20 --enable=style --suppress=knownConditionTrueFalse --check-level=exhaustive .
 
     clang-format:
-        runs-on: ubuntu-22.04
+        runs-on: ubuntu-24.04
         steps:
             - uses: actions/checkout@v4
 
@@ -97,17 +97,17 @@ jobs:
                   run-clang-tidy
 
     compile:
-        runs-on: ubuntu-22.04
         env:
             CXX: g++
         strategy:
             matrix:
-                compiler: [
-                        {name: gcc, ver: 11},
-                        {name: gcc, ver: 12},
-                        {name: gcc, ver: 13},
-                        # {name: gcc, ver: 14},
-                        {name: nvc++, ver: '24.3'},
+                compiler:
+                    [
+                        {os: ubuntu-24.04, name: gcc, ver: 11},
+                        {os: ubuntu-24.04, name: gcc, ver: 12},
+                        {os: ubuntu-24.04, name: gcc, ver: 13},
+                        {os: ubuntu-24.04, name: gcc, ver: 14},
+                        {os: ubuntu-22.04, name: nvc++, ver: '24.3'},
                     ]
                 mpi: [ON, OFF]
                 openmp: [ON, OFF]
@@ -117,6 +117,7 @@ jobs:
                       stdpar: ON
             fail-fast: false
 
+        runs-on: ${{ matrix.compiler.os }}
         name: ${{ matrix.compiler.name }} ${{ matrix.compiler.ver }}${{ matrix.mpi == 'ON' && ' MPI' || ''}}${{ matrix.openmp == 'ON' && ' OpenMP' || ''}}${{ matrix.stdpar == 'ON' && ' stdpar' || ''}}
         steps:
             - uses: actions/checkout@v4
@@ -181,7 +182,7 @@ jobs:
             - name: install OpenMP
               if: matrix.openmp == 'ON'
               run: |
-                  sudo apt-get install -y libomp5-14 libomp-dev
+                  sudo apt-get install -y libomp5 libomp-dev
 
             - name: Compile classic mode
               run: |

.github/workflows/ci.yml

@@ -19,8 +19,7 @@ jobs:
     testmodels:
         strategy:
             matrix:
-                # os: ['ubuntu-latest', 'self-hosted']
-                os: [ubuntu-22.04]
+                os: [ubuntu-24.04]
                 testmode: [OFF, ON]
                 testname:
                     [
@@ -57,12 +56,12 @@ jobs:
                   #   sudo add-apt-repository multiverse
                     sudo apt-get update
 
-            - name: Install gcc-13
+            - name: Install gcc-14
               if: always()
               uses: fortran-lang/setup-fortran@v1
               with:
                   compiler: gcc
-                  version: 13
+                  version: 14
 
             - name: install gsl and openmpi
               run: |
@@ -297,7 +296,7 @@ jobs:
     combine_checksums:
         needs: testmodels
         if: always()
-        runs-on: ubuntu-latest
+        runs-on: ubuntu-24.04
         steps:
             - name: Download test output
               uses: actions/download-artifact@v4

.pre-commit-config.yaml

@@ -2,7 +2,7 @@
 fail_fast: false
 repos:
     - repo: https://github.com/pre-commit/pre-commit-hooks
-      rev: v4.5.0
+      rev: v4.6.0
       hooks:
           - id: check-added-large-files
             args: [--maxkb=800]
@@ -12,16 +12,13 @@ repos:
           - id: check-executables-have-shebangs
           - id: check-json
           - id: check-merge-conflict
-          - id: check-toml
           - id: check-yaml
           - id: detect-private-key
           - id: destroyed-symlinks
           - id: fix-byte-order-marker
           - id: forbid-new-submodules
           - id: mixed-line-ending
             args: [--fix=lf]
-          - id: name-tests-test
-          - id: requirements-txt-fixer
           - id: trailing-whitespace
     - repo: https://github.com/pocc/pre-commit-hooks
       rev: v1.3.5

Makefile

@@ -121,11 +121,6 @@ endif
 ifeq ($(shell uname -s),Darwin)
 # 	macOS
 
-	ifeq ($(COMPILER_NAME),GCC)
-#		fixes linking on macOS with gcc
-		LDFLAGS += -Xlinker -ld_classic
-	endif
-
 	ifeq ($(shell uname -m),arm64)
 #	 	On Arm, -mcpu combines -march and -mtune
 		CXXFLAGS += -mcpu=native
@@ -229,11 +224,11 @@ CXXFLAGS += -Winline -Wall -Wpedantic -Wredundant-decls -Wno-unused-parameter -W
 # sn3d.cc and exspec.cc have main() defined
 common_files := $(filter-out sn3d.cc exspec.cc, $(wildcard *.cc))
 
-sn3d_files = sn3d.cc $(common_files)
+sn3d_files = $(common_files) sn3d.cc
 sn3d_objects = $(addprefix $(BUILD_DIR)/,$(sn3d_files:.cc=.o))
 sn3d_dep = $(sn3d_objects:%.o=%.d)
 
-exspec_files = exspec.cc $(common_files)
+exspec_files = $(common_files) exspec.cc
 exspec_objects = $(addprefix $(BUILD_DIR)/,$(exspec_files:.cc=.o))
 exspec_dep = $(exspec_objects:%.o=%.d)
 
@@ -248,14 +243,14 @@ $(BUILD_DIR)/sn3d.o $(BUILD_DIR)/exspec.o: version.h artisoptions.h Makefile
 check: $(sn3d_files)
 	run-clang-tidy $(sn3d_files)
 
-sn3d: $(sn3d_objects) artisoptions.h Makefile
+sn3d: artisoptions.h Makefile $(sn3d_objects)
 	$(CXX) $(CXXFLAGS) $(sn3d_objects) $(LDFLAGS) -o sn3d
 -include $(sn3d_dep)
 
 sn3dwhole: version.h artisoptions.h Makefile
 	$(CXX) $(CXXFLAGS) -g $(sn3d_files) $(LDFLAGS) -o sn3d
 
-exspec: $(exspec_objects) artisoptions.h Makefile
+exspec: artisoptions.h Makefile $(exspec_objects)
 	$(CXX) $(CXXFLAGS) $(exspec_objects) $(LDFLAGS) -o exspec
 -include $(exspec_dep)
 

artisoptions_christinenonthermal.h

@@ -151,5 +151,7 @@ constexpr bool EXPANSION_OPAC_SAMPLE_KAPPAPLANCK = false;
 
 constexpr bool USE_XCOM_GAMMAPHOTOION = false;
 
+constexpr auto GAMMA_THERMALISATION_SCHEME = ThermalisationScheme::DETAILED;
+
 // NOLINTEND(modernize*,misc-unused-parameters)
 #endif  // ARTISOPTIONS_H

artisoptions_classic.h

@@ -147,5 +147,7 @@ constexpr bool EXPANSION_OPAC_SAMPLE_KAPPAPLANCK = false;
 
 constexpr bool USE_XCOM_GAMMAPHOTOION = false;
 
+constexpr auto GAMMA_THERMALISATION_SCHEME = ThermalisationScheme::DETAILED;
+
 // NOLINTEND(modernize*,misc-unused-parameters)
-#endif  // ARTISOPTIONS_H
+#endif  // ARTISOPTIONS_H

artisoptions_kilonova_lte.h

@@ -146,5 +146,7 @@ constexpr bool EXPANSION_OPAC_SAMPLE_KAPPAPLANCK = false;
 
 constexpr bool USE_XCOM_GAMMAPHOTOION = false;
 
+constexpr auto GAMMA_THERMALISATION_SCHEME = ThermalisationScheme::DETAILED;
+
 // NOLINTEND(modernize*,misc-unused-parameters)
 #endif  // ARTISOPTIONS_H

artisoptions_nltenebular.h

@@ -158,5 +158,7 @@ constexpr bool EXPANSION_OPAC_SAMPLE_KAPPAPLANCK = false;
 
 constexpr bool USE_XCOM_GAMMAPHOTOION = false;
 
+constexpr auto GAMMA_THERMALISATION_SCHEME = ThermalisationScheme::DETAILED;
+
 // NOLINTEND(modernize*,misc-unused-parameters)
 #endif  // ARTISOPTIONS_H

artisoptions_nltewithoutnonthermal.h

@@ -150,5 +150,7 @@ constexpr bool EXPANSION_OPAC_SAMPLE_KAPPAPLANCK = false;
 
 constexpr bool USE_XCOM_GAMMAPHOTOION = false;
 
+constexpr auto GAMMA_THERMALISATION_SCHEME = ThermalisationScheme::DETAILED;
+
 // NOLINTEND(modernize*,misc-unused-parameters)
 #endif  // ARTISOPTIONS_H

constants.h

@@ -67,4 +67,6 @@ enum timestepsizemethods {
   TIMESTEP_SIZES_CONSTANT_THEN_LOGARITHMIC = 3,
 };
 
-#endif
+enum class ThermalisationScheme { DETAILED, BARNES_GLOBAL, BARNES_LOCAL };
+
+#endif

data/xcom_photoion_data.txt

@@ -1,4 +1,4 @@
-# Photoionization data from the XCOM database by NIST (https://www.nist.gov/pml/xcom-photon-cross-sections-database, Berger et al. 2010)  
+# Photoionization data from the XCOM database by NIST (https://www.nist.gov/pml/xcom-photon-cross-sections-database, Berger et al. 2010)
   1 1.000000000000E-03 1.141000000000E+01
   1 1.500000000000E-03 2.932000000000E+00
   1 2.000000000000E-03 1.111000000000E+00

decay.cc

@@ -669,8 +669,6 @@ void init_nuclides(const std::vector<int> &custom_zlist, const std::vector<int>
       nuclides.back().endecay_q[DECAYTYPE_BETAMINUS] = q_mev * MEV;
       nuclides.back().endecay_electron = e_elec_mev * MEV;
       nuclides.back().endecay_gamma = e_gamma_mev * MEV;
-      // printout("betaminus file: Adding (Z=%d)%s%d endecay_electron %g endecay_gamma %g tau_s %g\n",
-      //          z, get_elname(z), a, e_elec_mev, e_gamma_mev, tau_sec);
       assert_always(e_elec_mev >= 0.);
     }
 

gammapkt.cc

@@ -823,7 +823,7 @@ void pair_prod(Packet &pkt) {
   }
 }
 
-void do_gamma(Packet &pkt, double t2)
+void transport_gamma(Packet &pkt, double t2)
 // Now routine for moving a gamma packet. Idea is that we have as input
 // a gamma packet with known properties at time t1 and we want to follow it
 // until time t2.
@@ -969,4 +969,58 @@ void do_gamma(Packet &pkt, double t2)
   }
 }
 
-}  // namespace gammapkt
+void barnes_thermalization(Packet &pkt, bool local)
+// Barnes treatment: packet is either getting absorbed immediately and locally
+// creating a k-packet or it escapes. The absorption probability matches the
+// Barnes thermalization efficiency, for expressions see the original paper:
+// https://ui.adsabs.harvard.edu/abs/2016ApJ...829..110B
+{
+  // compute thermalization efficiency (= absorption probability)
+  constexpr double mean_gamma_opac = 0.1;
+
+  // determine average initial density
+  double V_0 = 0.;
+  for (int nonemptymgi = 0; nonemptymgi < grid::get_nonempty_npts_model(); nonemptymgi++) {
+    const int mgi = grid::get_mgi_of_nonemptymgi(nonemptymgi);
+    V_0 += grid::get_modelcell_assocvolume_tmin(mgi);
+  }
+  double rho_0 = 0.;
+  if (!local) {
+    rho_0 = grid::mtot_input / V_0;
+  } else {
+    rho_0 = grid::get_rho_tmin(grid::get_cell_modelgridindex(pkt.where));
+  }
+
+  const double R_0 = pow(3 * V_0 / (4 * PI), 1 / 3.);
+  const double t_0 = grid::get_t_model();
+  const double tau_ineff = sqrt(rho_0 * R_0 * pow(t_0, 2) * mean_gamma_opac);
+  // get current time
+  const double t = t_0 + pkt.prop_time;
+  const double tau = pow(tau_ineff / t, 2.);
+  const double f_gamma = 1. - exp(-tau);
+
+  // either absorb packet or let it escape
+  if (rng_uniform() < f_gamma) {
+    // packet is absorbed and contributes to the heating as a k-packet
+    pkt.type = TYPE_NTLEPTON;
+    pkt.absorptiontype = -4;
+  } else {
+    // let packet escape, i.e. make it inactive
+    pkt.type = TYPE_ESCAPE;
+    grid::change_cell(pkt, -99);
+  }
+}
+
+void do_gamma(Packet &pkt, double t2) {
+  if constexpr (GAMMA_THERMALISATION_SCHEME == ThermalisationScheme::DETAILED) {
+    transport_gamma(pkt, t2);
+  } else if constexpr (GAMMA_THERMALISATION_SCHEME == ThermalisationScheme::BARNES_GLOBAL) {
+    barnes_thermalization(pkt, false);
+  } else if constexpr (GAMMA_THERMALISATION_SCHEME == ThermalisationScheme::BARNES_LOCAL) {
+    barnes_thermalization(pkt, true);
+  } else {
+    __builtin_unreachable();
+  }
+}
+
+}  // namespace gammapkt

grid.cc

@@ -55,7 +55,6 @@ std::array<int, 3> ncoord_model{0};  // the model.txt input grid dimensions
 
 double min_den;  // minimum model density
 
-double mtot_input;
 double mfeg;  /// Total mass of Fe group elements in ejecta
 
 int first_cellindex = -1;  // auto-dermine first cell index in model.txt (usually 1 or 0)
@@ -2025,7 +2024,9 @@ static void setup_grid_cartesian_3d()
   // have a higher expansion velocity than the sides
   const double vmax_corner = sqrt(3 * pow(globals::vmax, 2));
   printout("corner vmax %g [cm/s] (%.2fc)\n", vmax_corner, vmax_corner / CLIGHT);
-  assert_always(vmax_corner < CLIGHT);
+  if (!FORCE_SPHERICAL_ESCAPE_SURFACE) {
+    assert_always(vmax_corner < CLIGHT);
+  }
 
   /// Set grid size for uniform xyz grid
   if (get_model_type() == GRID_CARTESIAN3D) {

grid.h

@@ -75,6 +75,8 @@ inline ModelGridCell *modelgrid{};
 
 inline int ngrid{0};
 
+inline double mtot_input;
+
 [[nodiscard]] auto get_elements_uppermost_ion(int modelgridindex, int element) -> int;
 void set_elements_uppermost_ion(int modelgridindex, int element, int newvalue);
 [[nodiscard]] auto wid_init(int cellindex, int axis) -> double;

tests/classicmode_1d_3dgrid_inputfiles/results_md5_final.txt

@@ -1,27 +1,27 @@
-24109f2d09a0dc6f111430bcac62e362  absorption.out
-f99d272a5701a67ddbdbe3cc572dfdc0  absorptionpol.out
+50ef16bf43784e7f8dfbe2f6c285bc0a  absorption.out
+1a9d7d912bdc103a43b378b90e24c4ba  absorptionpol.out
 c0604236aa7df99cda43e5c7bbe7b6f4  bflist.out
-b9494795649e4c892a5864e1364702ac  deposition.out
-b235a725a159945147f84384a1295123  emission.out
-32a92ebc53f27d5a549d9242cf9ff7a8  emissionpol.out
-5c07db44ce0f562f0e7f67202df5ae46  emissiontrue.out
-638daf26cdb4249c06fb4475f4f2b078  gamma_light_curve.out
-93a975936b353d1f78f275229cdb2a28  gamma_spec.out
+fc4fc40330c7ecf916358cc744c422f3  deposition.out
+fef7cc28820f477dd111d905a7cbdf5a  emission.out
+ca589bac83866a9479519cab74f31a09  emissionpol.out
+21a1f61ef79299c43761614d097584b6  emissiontrue.out
+1c8f43523a8bf1e24cd24db7f256701f  gamma_light_curve.out
+0c2a7f61dce00daa1da52a3085c41224  gamma_spec.out
 057b226c371f3819cba5e04bfea3d114  gammalinelist.out
 20bddb22b6f084a7abc105c210366bfd  grid.out
-281553bd29e414420511af82b97c2ba2  light_curve.out
+2918754ae0ca07ebba74ad8a148646ee  light_curve.out
 5740f40190d45653e5fce57ddf577dc8  linestat.out
 c4e4e8d00846618f3931dc01cf52615f  modelgridrankassignments.out
-d6e3ae254d56e6649c2ea35a81437beb  packets00_0000.out
-6f6af500b379fdef6c04e2e480d0293a  packets00_0001.out
-887fe3ebcd66343afa8d283ca8289a0d  spec.out
-08b4509cde05029747a3015743b0be9b  specpol.out
+58fbae3d776d484d27cc7adb4d63d909  packets00_0000.out
+fd81df81ec3fa4fbab5924f2892e59b4  packets00_0001.out
+454b13ad8770380932e05e51bea9b9dc  spec.out
+ed8e92aa9a5d0d3717f697c967a35245  specpol.out
 040c71f981716a2abf0467a82b1ac13c  timesteps.out
-1ab572d6289a8f7c192ae6e2e9a412e3  vpackets_0000.out
-4b2790b819ef0518a4f1f21fc81fd495  vpackets_0001.out
-45d2451baa526cfe6789594cfedaf19e  vpkt_grid_0-0.out
-9261e4760253227d7856d16989573a52  vpkt_grid_1-0.out
-96ae0b30d1315ec67794c399f350636f  vspecpol_0-0.out
-1b1c71cbc0616c3c09527702cea59e58  vspecpol_1-0.out
-758593c9177b6eefb1a8e25d7a64752b  job1/estimators_0000.out
-0c75c9ce7960ee93ed3ec63c2373867d  job1/estimators_0001.out
+508619acff2a825d7e3ce9a7536d2371  vpackets_0000.out
+8be926090f01f929ef2f620a119db621  vpackets_0001.out
+49214f0ff96736c807dfada58cd31f63  vpkt_grid_0000.out
+aee10c0ea4c9070a6a99371e738cf1d0  vpkt_grid_0001.out
+a5df7ee0f2b64fc14298b71f1c69a357  vspecpol_0000.out
+1ea589c07198665405b2d037c104ad0f  vspecpol_0001.out
+1289d2c8180a1b1d0fbee86b07b97501  job1/estimators_0000.out
+44aef2b4c845f2d5887c4949eca08a28  job1/estimators_0001.out