Now plumed is forced on

patches/gromacs-2025.0.diff/cmake/gmxManagePlumed.cmake

@@ -0,0 +1,82 @@
+#
+# This file is part of the GROMACS molecular simulation package.
+#
+# Copyright 2024- The GROMACS Authors
+# and the project initiators Erik Lindahl, Berk Hess and David van der Spoel.
+# Consult the AUTHORS/COPYING files and https://www.gromacs.org for details.
+#
+# GROMACS is free software; you can redistribute it and/or
+# modify it under the terms of the GNU Lesser General Public License
+# as published by the Free Software Foundation; either version 2.1
+# of the License, or (at your option) any later version.
+#
+# GROMACS is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
+# Lesser General Public License for more details.
+#
+# You should have received a copy of the GNU Lesser General Public
+# License along with GROMACS; if not, see
+# https://www.gnu.org/licenses, or write to the Free Software Foundation,
+# Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA.
+#
+# If you want to redistribute modifications to GROMACS, please
+# consider that scientific software is very special. Version
+# control is crucial - bugs must be traceable. We will be happy to
+# consider code for inclusion in the official distribution, but
+# derived work must not be called official GROMACS. Details are found
+# in the README & COPYING files - if they are missing, get the
+# official version at https://www.gromacs.org.
+#
+# To help us fund GROMACS development, we humbly ask that you cite
+# the research papers on the package. Check out https://www.gromacs.org.
+
+
+
+
+
+
+
+# Builds the interface to plumed and add the linkage to libPlumed
+
+gmx_option_multichoice(GMX_USE_PLUMED
+    "Build the PLUMED wrapper with GROMACS"
+    ON
+    ON)
+mark_as_advanced(GMX_USE_PLUMED)
+
+function(gmx_manage_plumed)
+    # Create a link target, leave it empty if the plumed option is not active
+    add_library(plumedgmx INTERFACE)
+    set (GMX_PLUMED_ACTIVE OFF CACHE INTERNAL "Cache entry for PLUMED activation")
+    if(WIN32)
+        if(GMX_USE_PLUMED STREQUAL "ON")
+                message(FATAL_ERROR "PLUMED is not supported on Windows. Reconfigure with -DGMX_USE_PLUMED=OFF.")
+        endif()
+    elseif(NOT GMX_USE_PLUMED STREQUAL "OFF")
+        include(CMakePushCheckState)
+        cmake_push_check_state(RESET)
+        set(CMAKE_REQUIRED_LIBRARIES ${CMAKE_DL_LIBS})
+        include(CheckFunctionExists)
+        check_function_exists(dlopen HAVE_DLOPEN)
+        cmake_pop_check_state()
+        if(HAVE_DLOPEN)
+            # Plumed.h  compiled in c++ mode creates a fully inlined interface
+            # So we just need to activate the directory in applied_forces
+            set(PLUMED_DIR "${CMAKE_SOURCE_DIR}/src/external/plumed")
+            target_link_libraries( plumedgmx INTERFACE ${CMAKE_DL_LIBS} )
+            # The plumedgmx already exists, now we set it up:
+            target_include_directories(plumedgmx SYSTEM INTERFACE $<BUILD_INTERFACE:${PLUMED_DIR}>)
+            set (GMX_PLUMED_ACTIVE ON CACHE INTERNAL "Cache entry for PLUMED activation")
+        else()
+            if(GMX_USE_PLUMED STREQUAL "ON")
+                message(FATAL_ERROR "PLUMED needs dlopen or anything equivalent. Reconfigure with -DGMX_USE_PLUMED=OFF.")
+            else() # "AUTO"
+                message(STATUS "PLUMED needs dlopen or anything equivalent. Disabling support.")
+            endif()
+
+        endif()
+
+    endif()
+
+endfunction()

patches/gromacs-2025.0.diff/cmake/gmxManagePlumed.cmake.preplumed

@@ -0,0 +1,82 @@
+#
+# This file is part of the GROMACS molecular simulation package.
+#
+# Copyright 2024- The GROMACS Authors
+# and the project initiators Erik Lindahl, Berk Hess and David van der Spoel.
+# Consult the AUTHORS/COPYING files and https://www.gromacs.org for details.
+#
+# GROMACS is free software; you can redistribute it and/or
+# modify it under the terms of the GNU Lesser General Public License
+# as published by the Free Software Foundation; either version 2.1
+# of the License, or (at your option) any later version.
+#
+# GROMACS is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
+# Lesser General Public License for more details.
+#
+# You should have received a copy of the GNU Lesser General Public
+# License along with GROMACS; if not, see
+# https://www.gnu.org/licenses, or write to the Free Software Foundation,
+# Inc., 51 Franklin Street, Fifth Floor, Boston, MA  02110-1301  USA.
+#
+# If you want to redistribute modifications to GROMACS, please
+# consider that scientific software is very special. Version
+# control is crucial - bugs must be traceable. We will be happy to
+# consider code for inclusion in the official distribution, but
+# derived work must not be called official GROMACS. Details are found
+# in the README & COPYING files - if they are missing, get the
+# official version at https://www.gromacs.org.
+#
+# To help us fund GROMACS development, we humbly ask that you cite
+# the research papers on the package. Check out https://www.gromacs.org.
+
+
+
+
+
+
+
+# Builds the interface to plumed and add the linkage to libPlumed
+
+gmx_option_multichoice(GMX_USE_PLUMED
+    "Build the PLUMED wrapper with GROMACS"
+    AUTO
+    AUTO ON OFF)
+mark_as_advanced(GMX_USE_PLUMED)
+
+function(gmx_manage_plumed)
+    # Create a link target, leave it empty if the plumed option is not active
+    add_library(plumedgmx INTERFACE)
+    set (GMX_PLUMED_ACTIVE OFF CACHE INTERNAL "Cache entry for PLUMED activation")
+    if(WIN32)
+        if(GMX_USE_PLUMED STREQUAL "ON")
+                message(FATAL_ERROR "PLUMED is not supported on Windows. Reconfigure with -DGMX_USE_PLUMED=OFF.")
+        endif()
+    elseif(NOT GMX_USE_PLUMED STREQUAL "OFF")
+        include(CMakePushCheckState)
+        cmake_push_check_state(RESET)
+        set(CMAKE_REQUIRED_LIBRARIES ${CMAKE_DL_LIBS})
+        include(CheckFunctionExists)
+        check_function_exists(dlopen HAVE_DLOPEN)
+        cmake_pop_check_state()
+        if(HAVE_DLOPEN)
+            # Plumed.h  compiled in c++ mode creates a fully inlined interface
+            # So we just need to activate the directory in applied_forces
+            set(PLUMED_DIR "${CMAKE_SOURCE_DIR}/src/external/plumed")
+            target_link_libraries( plumedgmx INTERFACE ${CMAKE_DL_LIBS} )
+            # The plumedgmx already exists, now we set it up:
+            target_include_directories(plumedgmx SYSTEM INTERFACE $<BUILD_INTERFACE:${PLUMED_DIR}>)
+            set (GMX_PLUMED_ACTIVE ON CACHE INTERNAL "Cache entry for PLUMED activation")
+        else()
+            if(GMX_USE_PLUMED STREQUAL "ON")
+                message(FATAL_ERROR "PLUMED needs dlopen or anything equivalent. Reconfigure with -DGMX_USE_PLUMED=OFF.")
+            else() # "AUTO"
+                message(STATUS "PLUMED needs dlopen or anything equivalent. Disabling support.")
+            endif()
+
+        endif()
+
+    endif()
+
+endfunction()