From 5b31d29b9cff83151388745098acae083deaf654 Mon Sep 17 00:00:00 2001 From: Carlo Camilloni Date: Wed, 18 Sep 2024 22:06:11 +0200 Subject: [PATCH] gmx2024.2 to 2024.3 --- patches/{gromacs-2024.2.config => gromacs-2024.3.config} | 0 .../src/gromacs/CMakeLists.txt | 0 .../src/gromacs/CMakeLists.txt.preplumed | 0 .../src/gromacs/mdlib/expanded.cpp | 0 .../src/gromacs/mdlib/expanded.cpp.preplumed | 0 .../src/gromacs/mdlib/expanded.h | 0 .../src/gromacs/mdlib/expanded.h.preplumed | 0 .../src/gromacs/mdlib/sim_util.cpp | 0 .../src/gromacs/mdlib/sim_util.cpp.preplumed | 0 .../src/gromacs/mdrun/legacymdrunoptions.cpp | 0 .../src/gromacs/mdrun/legacymdrunoptions.cpp.preplumed | 0 .../src/gromacs/mdrun/legacymdrunoptions.h | 0 .../src/gromacs/mdrun/legacymdrunoptions.h.preplumed | 0 .../src/gromacs/mdrun/md.cpp | 0 .../src/gromacs/mdrun/md.cpp.preplumed | 0 .../src/gromacs/mdrun/minimize.cpp | 0 .../src/gromacs/mdrun/minimize.cpp.preplumed | 0 .../src/gromacs/mdrun/replicaexchange.cpp | 0 .../src/gromacs/mdrun/replicaexchange.cpp.preplumed | 0 .../src/gromacs/mdrun/replicaexchange.h | 0 .../src/gromacs/mdrun/replicaexchange.h.preplumed | 0 .../src/gromacs/mdrun/rerun.cpp | 0 .../src/gromacs/mdrun/rerun.cpp.preplumed | 0 .../src/gromacs/mdrun/runner.cpp | 0 .../src/gromacs/mdrun/runner.cpp.preplumed | 0 .../src/gromacs/modularsimulator/expandedensembleelement.cpp | 0 .../modularsimulator/expandedensembleelement.cpp.preplumed | 0 .../src/gromacs/taskassignment/decidegpuusage.cpp | 0 .../src/gromacs/taskassignment/decidegpuusage.cpp.preplumed | 0 .../include/gromacs/taskassignment/decidegpuusage.h | 0 .../include/gromacs/taskassignment/decidegpuusage.h.preplumed | 0 31 files changed, 0 insertions(+), 0 deletions(-) rename patches/{gromacs-2024.2.config => gromacs-2024.3.config} (100%) rename patches/{gromacs-2024.2.diff => gromacs-2024.3.diff}/src/gromacs/CMakeLists.txt (100%) rename patches/{gromacs-2024.2.diff => gromacs-2024.3.diff}/src/gromacs/CMakeLists.txt.preplumed (100%) rename patches/{gromacs-2024.2.diff => gromacs-2024.3.diff}/src/gromacs/mdlib/expanded.cpp (100%) rename patches/{gromacs-2024.2.diff => gromacs-2024.3.diff}/src/gromacs/mdlib/expanded.cpp.preplumed (100%) rename patches/{gromacs-2024.2.diff => gromacs-2024.3.diff}/src/gromacs/mdlib/expanded.h (100%) rename patches/{gromacs-2024.2.diff => gromacs-2024.3.diff}/src/gromacs/mdlib/expanded.h.preplumed (100%) rename patches/{gromacs-2024.2.diff => gromacs-2024.3.diff}/src/gromacs/mdlib/sim_util.cpp (100%) rename patches/{gromacs-2024.2.diff => gromacs-2024.3.diff}/src/gromacs/mdlib/sim_util.cpp.preplumed (100%) rename patches/{gromacs-2024.2.diff => gromacs-2024.3.diff}/src/gromacs/mdrun/legacymdrunoptions.cpp (100%) rename patches/{gromacs-2024.2.diff => gromacs-2024.3.diff}/src/gromacs/mdrun/legacymdrunoptions.cpp.preplumed (100%) rename patches/{gromacs-2024.2.diff => gromacs-2024.3.diff}/src/gromacs/mdrun/legacymdrunoptions.h (100%) rename patches/{gromacs-2024.2.diff => gromacs-2024.3.diff}/src/gromacs/mdrun/legacymdrunoptions.h.preplumed (100%) rename patches/{gromacs-2024.2.diff => gromacs-2024.3.diff}/src/gromacs/mdrun/md.cpp (100%) rename patches/{gromacs-2024.2.diff => gromacs-2024.3.diff}/src/gromacs/mdrun/md.cpp.preplumed (100%) rename patches/{gromacs-2024.2.diff => gromacs-2024.3.diff}/src/gromacs/mdrun/minimize.cpp (100%) rename patches/{gromacs-2024.2.diff => gromacs-2024.3.diff}/src/gromacs/mdrun/minimize.cpp.preplumed (100%) rename patches/{gromacs-2024.2.diff => gromacs-2024.3.diff}/src/gromacs/mdrun/replicaexchange.cpp (100%) rename patches/{gromacs-2024.2.diff => gromacs-2024.3.diff}/src/gromacs/mdrun/replicaexchange.cpp.preplumed (100%) rename patches/{gromacs-2024.2.diff => gromacs-2024.3.diff}/src/gromacs/mdrun/replicaexchange.h (100%) rename patches/{gromacs-2024.2.diff => gromacs-2024.3.diff}/src/gromacs/mdrun/replicaexchange.h.preplumed (100%) rename patches/{gromacs-2024.2.diff => gromacs-2024.3.diff}/src/gromacs/mdrun/rerun.cpp (100%) rename patches/{gromacs-2024.2.diff => gromacs-2024.3.diff}/src/gromacs/mdrun/rerun.cpp.preplumed (100%) rename patches/{gromacs-2024.2.diff => gromacs-2024.3.diff}/src/gromacs/mdrun/runner.cpp (100%) rename patches/{gromacs-2024.2.diff => gromacs-2024.3.diff}/src/gromacs/mdrun/runner.cpp.preplumed (100%) rename patches/{gromacs-2024.2.diff => gromacs-2024.3.diff}/src/gromacs/modularsimulator/expandedensembleelement.cpp (100%) rename patches/{gromacs-2024.2.diff => gromacs-2024.3.diff}/src/gromacs/modularsimulator/expandedensembleelement.cpp.preplumed (100%) rename patches/{gromacs-2024.2.diff => gromacs-2024.3.diff}/src/gromacs/taskassignment/decidegpuusage.cpp (100%) rename patches/{gromacs-2024.2.diff => gromacs-2024.3.diff}/src/gromacs/taskassignment/decidegpuusage.cpp.preplumed (100%) rename patches/{gromacs-2024.2.diff => gromacs-2024.3.diff}/src/gromacs/taskassignment/include/gromacs/taskassignment/decidegpuusage.h (100%) rename patches/{gromacs-2024.2.diff => gromacs-2024.3.diff}/src/gromacs/taskassignment/include/gromacs/taskassignment/decidegpuusage.h.preplumed (100%) diff --git a/patches/gromacs-2024.2.config b/patches/gromacs-2024.3.config similarity index 100% rename from patches/gromacs-2024.2.config rename to patches/gromacs-2024.3.config diff --git a/patches/gromacs-2024.2.diff/src/gromacs/CMakeLists.txt b/patches/gromacs-2024.3.diff/src/gromacs/CMakeLists.txt similarity index 100% rename from patches/gromacs-2024.2.diff/src/gromacs/CMakeLists.txt rename to patches/gromacs-2024.3.diff/src/gromacs/CMakeLists.txt diff --git a/patches/gromacs-2024.2.diff/src/gromacs/CMakeLists.txt.preplumed b/patches/gromacs-2024.3.diff/src/gromacs/CMakeLists.txt.preplumed similarity index 100% rename from patches/gromacs-2024.2.diff/src/gromacs/CMakeLists.txt.preplumed rename to patches/gromacs-2024.3.diff/src/gromacs/CMakeLists.txt.preplumed diff --git a/patches/gromacs-2024.2.diff/src/gromacs/mdlib/expanded.cpp b/patches/gromacs-2024.3.diff/src/gromacs/mdlib/expanded.cpp similarity index 100% rename from patches/gromacs-2024.2.diff/src/gromacs/mdlib/expanded.cpp rename to patches/gromacs-2024.3.diff/src/gromacs/mdlib/expanded.cpp diff --git a/patches/gromacs-2024.2.diff/src/gromacs/mdlib/expanded.cpp.preplumed b/patches/gromacs-2024.3.diff/src/gromacs/mdlib/expanded.cpp.preplumed similarity index 100% rename from patches/gromacs-2024.2.diff/src/gromacs/mdlib/expanded.cpp.preplumed rename to patches/gromacs-2024.3.diff/src/gromacs/mdlib/expanded.cpp.preplumed diff --git a/patches/gromacs-2024.2.diff/src/gromacs/mdlib/expanded.h b/patches/gromacs-2024.3.diff/src/gromacs/mdlib/expanded.h similarity index 100% rename from patches/gromacs-2024.2.diff/src/gromacs/mdlib/expanded.h rename to patches/gromacs-2024.3.diff/src/gromacs/mdlib/expanded.h diff --git a/patches/gromacs-2024.2.diff/src/gromacs/mdlib/expanded.h.preplumed b/patches/gromacs-2024.3.diff/src/gromacs/mdlib/expanded.h.preplumed similarity index 100% rename from patches/gromacs-2024.2.diff/src/gromacs/mdlib/expanded.h.preplumed rename to patches/gromacs-2024.3.diff/src/gromacs/mdlib/expanded.h.preplumed diff --git a/patches/gromacs-2024.2.diff/src/gromacs/mdlib/sim_util.cpp b/patches/gromacs-2024.3.diff/src/gromacs/mdlib/sim_util.cpp similarity index 100% rename from patches/gromacs-2024.2.diff/src/gromacs/mdlib/sim_util.cpp rename to patches/gromacs-2024.3.diff/src/gromacs/mdlib/sim_util.cpp diff --git a/patches/gromacs-2024.2.diff/src/gromacs/mdlib/sim_util.cpp.preplumed b/patches/gromacs-2024.3.diff/src/gromacs/mdlib/sim_util.cpp.preplumed similarity index 100% rename from patches/gromacs-2024.2.diff/src/gromacs/mdlib/sim_util.cpp.preplumed rename to patches/gromacs-2024.3.diff/src/gromacs/mdlib/sim_util.cpp.preplumed diff --git a/patches/gromacs-2024.2.diff/src/gromacs/mdrun/legacymdrunoptions.cpp b/patches/gromacs-2024.3.diff/src/gromacs/mdrun/legacymdrunoptions.cpp similarity index 100% rename from patches/gromacs-2024.2.diff/src/gromacs/mdrun/legacymdrunoptions.cpp rename to patches/gromacs-2024.3.diff/src/gromacs/mdrun/legacymdrunoptions.cpp diff --git a/patches/gromacs-2024.2.diff/src/gromacs/mdrun/legacymdrunoptions.cpp.preplumed b/patches/gromacs-2024.3.diff/src/gromacs/mdrun/legacymdrunoptions.cpp.preplumed similarity index 100% rename from patches/gromacs-2024.2.diff/src/gromacs/mdrun/legacymdrunoptions.cpp.preplumed rename to patches/gromacs-2024.3.diff/src/gromacs/mdrun/legacymdrunoptions.cpp.preplumed diff --git a/patches/gromacs-2024.2.diff/src/gromacs/mdrun/legacymdrunoptions.h b/patches/gromacs-2024.3.diff/src/gromacs/mdrun/legacymdrunoptions.h similarity index 100% rename from patches/gromacs-2024.2.diff/src/gromacs/mdrun/legacymdrunoptions.h rename to patches/gromacs-2024.3.diff/src/gromacs/mdrun/legacymdrunoptions.h diff --git a/patches/gromacs-2024.2.diff/src/gromacs/mdrun/legacymdrunoptions.h.preplumed b/patches/gromacs-2024.3.diff/src/gromacs/mdrun/legacymdrunoptions.h.preplumed similarity index 100% rename from patches/gromacs-2024.2.diff/src/gromacs/mdrun/legacymdrunoptions.h.preplumed rename to patches/gromacs-2024.3.diff/src/gromacs/mdrun/legacymdrunoptions.h.preplumed diff --git a/patches/gromacs-2024.2.diff/src/gromacs/mdrun/md.cpp b/patches/gromacs-2024.3.diff/src/gromacs/mdrun/md.cpp similarity index 100% rename from patches/gromacs-2024.2.diff/src/gromacs/mdrun/md.cpp rename to patches/gromacs-2024.3.diff/src/gromacs/mdrun/md.cpp diff --git a/patches/gromacs-2024.2.diff/src/gromacs/mdrun/md.cpp.preplumed b/patches/gromacs-2024.3.diff/src/gromacs/mdrun/md.cpp.preplumed similarity index 100% rename from patches/gromacs-2024.2.diff/src/gromacs/mdrun/md.cpp.preplumed rename to patches/gromacs-2024.3.diff/src/gromacs/mdrun/md.cpp.preplumed diff --git a/patches/gromacs-2024.2.diff/src/gromacs/mdrun/minimize.cpp b/patches/gromacs-2024.3.diff/src/gromacs/mdrun/minimize.cpp similarity index 100% rename from patches/gromacs-2024.2.diff/src/gromacs/mdrun/minimize.cpp rename to patches/gromacs-2024.3.diff/src/gromacs/mdrun/minimize.cpp diff --git a/patches/gromacs-2024.2.diff/src/gromacs/mdrun/minimize.cpp.preplumed b/patches/gromacs-2024.3.diff/src/gromacs/mdrun/minimize.cpp.preplumed similarity index 100% rename from patches/gromacs-2024.2.diff/src/gromacs/mdrun/minimize.cpp.preplumed rename to patches/gromacs-2024.3.diff/src/gromacs/mdrun/minimize.cpp.preplumed diff --git a/patches/gromacs-2024.2.diff/src/gromacs/mdrun/replicaexchange.cpp b/patches/gromacs-2024.3.diff/src/gromacs/mdrun/replicaexchange.cpp similarity index 100% rename from patches/gromacs-2024.2.diff/src/gromacs/mdrun/replicaexchange.cpp rename to patches/gromacs-2024.3.diff/src/gromacs/mdrun/replicaexchange.cpp diff --git a/patches/gromacs-2024.2.diff/src/gromacs/mdrun/replicaexchange.cpp.preplumed b/patches/gromacs-2024.3.diff/src/gromacs/mdrun/replicaexchange.cpp.preplumed similarity index 100% rename from patches/gromacs-2024.2.diff/src/gromacs/mdrun/replicaexchange.cpp.preplumed rename to patches/gromacs-2024.3.diff/src/gromacs/mdrun/replicaexchange.cpp.preplumed diff --git a/patches/gromacs-2024.2.diff/src/gromacs/mdrun/replicaexchange.h b/patches/gromacs-2024.3.diff/src/gromacs/mdrun/replicaexchange.h similarity index 100% rename from patches/gromacs-2024.2.diff/src/gromacs/mdrun/replicaexchange.h rename to patches/gromacs-2024.3.diff/src/gromacs/mdrun/replicaexchange.h diff --git a/patches/gromacs-2024.2.diff/src/gromacs/mdrun/replicaexchange.h.preplumed b/patches/gromacs-2024.3.diff/src/gromacs/mdrun/replicaexchange.h.preplumed similarity index 100% rename from patches/gromacs-2024.2.diff/src/gromacs/mdrun/replicaexchange.h.preplumed rename to patches/gromacs-2024.3.diff/src/gromacs/mdrun/replicaexchange.h.preplumed diff --git a/patches/gromacs-2024.2.diff/src/gromacs/mdrun/rerun.cpp b/patches/gromacs-2024.3.diff/src/gromacs/mdrun/rerun.cpp similarity index 100% rename from patches/gromacs-2024.2.diff/src/gromacs/mdrun/rerun.cpp rename to patches/gromacs-2024.3.diff/src/gromacs/mdrun/rerun.cpp diff --git a/patches/gromacs-2024.2.diff/src/gromacs/mdrun/rerun.cpp.preplumed b/patches/gromacs-2024.3.diff/src/gromacs/mdrun/rerun.cpp.preplumed similarity index 100% rename from patches/gromacs-2024.2.diff/src/gromacs/mdrun/rerun.cpp.preplumed rename to patches/gromacs-2024.3.diff/src/gromacs/mdrun/rerun.cpp.preplumed diff --git a/patches/gromacs-2024.2.diff/src/gromacs/mdrun/runner.cpp b/patches/gromacs-2024.3.diff/src/gromacs/mdrun/runner.cpp similarity index 100% rename from patches/gromacs-2024.2.diff/src/gromacs/mdrun/runner.cpp rename to patches/gromacs-2024.3.diff/src/gromacs/mdrun/runner.cpp diff --git a/patches/gromacs-2024.2.diff/src/gromacs/mdrun/runner.cpp.preplumed b/patches/gromacs-2024.3.diff/src/gromacs/mdrun/runner.cpp.preplumed similarity index 100% rename from patches/gromacs-2024.2.diff/src/gromacs/mdrun/runner.cpp.preplumed rename to patches/gromacs-2024.3.diff/src/gromacs/mdrun/runner.cpp.preplumed diff --git a/patches/gromacs-2024.2.diff/src/gromacs/modularsimulator/expandedensembleelement.cpp b/patches/gromacs-2024.3.diff/src/gromacs/modularsimulator/expandedensembleelement.cpp similarity index 100% rename from patches/gromacs-2024.2.diff/src/gromacs/modularsimulator/expandedensembleelement.cpp rename to patches/gromacs-2024.3.diff/src/gromacs/modularsimulator/expandedensembleelement.cpp diff --git a/patches/gromacs-2024.2.diff/src/gromacs/modularsimulator/expandedensembleelement.cpp.preplumed b/patches/gromacs-2024.3.diff/src/gromacs/modularsimulator/expandedensembleelement.cpp.preplumed similarity index 100% rename from patches/gromacs-2024.2.diff/src/gromacs/modularsimulator/expandedensembleelement.cpp.preplumed rename to patches/gromacs-2024.3.diff/src/gromacs/modularsimulator/expandedensembleelement.cpp.preplumed diff --git a/patches/gromacs-2024.2.diff/src/gromacs/taskassignment/decidegpuusage.cpp b/patches/gromacs-2024.3.diff/src/gromacs/taskassignment/decidegpuusage.cpp similarity index 100% rename from patches/gromacs-2024.2.diff/src/gromacs/taskassignment/decidegpuusage.cpp rename to patches/gromacs-2024.3.diff/src/gromacs/taskassignment/decidegpuusage.cpp diff --git a/patches/gromacs-2024.2.diff/src/gromacs/taskassignment/decidegpuusage.cpp.preplumed b/patches/gromacs-2024.3.diff/src/gromacs/taskassignment/decidegpuusage.cpp.preplumed similarity index 100% rename from patches/gromacs-2024.2.diff/src/gromacs/taskassignment/decidegpuusage.cpp.preplumed rename to patches/gromacs-2024.3.diff/src/gromacs/taskassignment/decidegpuusage.cpp.preplumed diff --git a/patches/gromacs-2024.2.diff/src/gromacs/taskassignment/include/gromacs/taskassignment/decidegpuusage.h b/patches/gromacs-2024.3.diff/src/gromacs/taskassignment/include/gromacs/taskassignment/decidegpuusage.h similarity index 100% rename from patches/gromacs-2024.2.diff/src/gromacs/taskassignment/include/gromacs/taskassignment/decidegpuusage.h rename to patches/gromacs-2024.3.diff/src/gromacs/taskassignment/include/gromacs/taskassignment/decidegpuusage.h diff --git a/patches/gromacs-2024.2.diff/src/gromacs/taskassignment/include/gromacs/taskassignment/decidegpuusage.h.preplumed b/patches/gromacs-2024.3.diff/src/gromacs/taskassignment/include/gromacs/taskassignment/decidegpuusage.h.preplumed similarity index 100% rename from patches/gromacs-2024.2.diff/src/gromacs/taskassignment/include/gromacs/taskassignment/decidegpuusage.h.preplumed rename to patches/gromacs-2024.3.diff/src/gromacs/taskassignment/include/gromacs/taskassignment/decidegpuusage.h.preplumed