add USER-BFIELD package/plugin

lammps · Aug 4, 2023 · 7dbe3f9 · 7dbe3f9
1 parent 3abfff9
commit 7dbe3f9
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Showing 7 changed files with 891 additions and 6 deletions.
diff --git a/CMakeLists.txt b/CMakeLists.txt
@@ -20,7 +20,8 @@ include(LAMMPSInterfacePlugin)
 set(CMAKE_LIBRARY_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR})
 
 if(CMAKE_SYSTEM_NAME STREQUAL "Windows")
-  add_custom_target(package DEPENDS package-USER-AEAM package-USER-REBOMOS)
+  add_custom_target(package DEPENDS package-USER-AEAM package-USER-BFIELD package-USER-REBOMOS)
 endif()
 add_subdirectory(USER-AEAM)
+add_subdirectory(USER-BFIELD)
 add_subdirectory(USER-REBOMOS)
diff --git a/README.md b/README.md
@@ -1,12 +1,13 @@
 This repository contains source code written for LAMMPS from
 various sources that is not part of the LAMMPS distribution
 for a number of reasons, but ported to be compatible with the
-23 June 2022 LAMMPS release and converted to create plugins.
+2 August 2023 LAMMPS release and converted to create plugins.
 
-| Folders      | Origin of source code                              |
-|--------------|----------------------------------------------------|
-| USER-AEAM    | https://github.com/psaidi/AEAM                     |
-| USER-REBOMOS | https://matsci.org/t/pair-rebomos/30503            |
+| Folders      | Origin of source code                                                       |
+|--------------|-----------------------------------------------------------------------------|
+| USER-AEAM    | https://github.com/psaidi/AEAM                                              |
+| USER-BFIELD  | https://matsci.org/t/discrepency-beween-old-version-and-new-version/50014/5 |
+| USER-REBOMOS | https://matsci.org/t/pair-rebomos/30503                                     |
 
 As of the 22 December 2022 LAMMPS release, the USER-VCSGC package
 code has been merged with upstream and the corresponding fix is now

diff --git a/USER-BFIELD/CMakeLists.txt b/USER-BFIELD/CMakeLists.txt
@@ -0,0 +1,71 @@
+##########################################
+# CMake build system for plugin examples.
+# The is meant to be used as a template for plugins that are
+# distributed independent from the LAMMPS package.
+##########################################
+
+cmake_minimum_required(VERSION 3.10)
+if(POLICY CMP0077)
+  cmake_policy(SET CMP0077 NEW)
+endif()
+
+project(bfieldplugin VERSION 1.0 LANGUAGES CXX)
+
+if(NOT LAMMPS_SOURCE_DIR)
+  message(FATAL_ERROR "Must set LAMMPS_SOURCE_DIR variable")
+endif()
+set(CMAKE_MODULE_PATH "${LAMMPS_SOURCE_DIR}/../cmake/Modules")
+if (NOT TARGET lammps)
+  include(CheckIncludeFileCXX)
+  include(LAMMPSInterfacePlugin)
+endif()
+
+##########################
+# building the plugins
+
+add_library(bfieldplugin MODULE bfieldplugin.cpp ${CMAKE_CURRENT_SOURCE_DIR}/fix_bfield.cpp)
+target_link_libraries(bfieldplugin PRIVATE lammps)
+set_target_properties(bfieldplugin PROPERTIES PREFIX "" SUFFIX ".so")
+
+# MacOS seems to need this
+if(CMAKE_SYSTEM_NAME STREQUAL Darwin)
+  set_target_properties(bfieldplugin PROPERTIES LINK_FLAGS "-Wl,-undefined,dynamic_lookup")
+elseif(CMAKE_SYSTEM_NAME STREQUAL "Windows")
+# tell CMake to export all symbols to a .dll on Windows with special case for MinGW cross-compilers
+  set_target_properties(bfieldplugin PROPERTIES WINDOWS_EXPORT_ALL_SYMBOLS TRUE)
+  if(CMAKE_CROSSCOMPILING)
+    set_target_properties(bfieldplugin  PROPERTIES LINK_FLAGS "-Wl,--export-all-symbols")
+  endif()
+
+  get_lammps_version(${LAMMPS_SOURCE_DIR}/version.h LAMMPS_VERSION)
+  find_program(MAKENSIS_PATH makensis)
+  if(MAKENSIS_PATH)
+      execute_process(COMMAND ${CMAKE_COMMAND} -E copy_if_different ${CMAKE_CURRENT_SOURCE_DIR}/../lammps.ico
+      ${CMAKE_CURRENT_SOURCE_DIR}/../lammps-text-logo-wide.bmp ${CMAKE_CURRENT_SOURCE_DIR}/bfieldplugin.nsis ${CMAKE_BINARY_DIR})
+    if(TARGET package)
+      set(mytarget package-USER-BFIELD)
+    else()
+      set(mytarget package)
+    endif()
+    if(BUILD_MPI)
+      if(USE_MSMPI AND CMAKE_CROSSCOMPILING)
+        add_custom_target(${mytarget} ${MAKENSIS_PATH} -V1 -DVERSION=${LAMMPS_VERSION}-MSMPI bfieldplugin.nsis
+          WORKING_DIRECTORY ${CMAKE_BINARY_DIR}
+          DEPENDS bfieldplugin ${CMAKE_BINARY_DIR}/lammps.ico ${CMAKE_BINARY_DIR}/lammps-text-logo-wide.bmp ${CMAKE_BINARY_DIR}/bfieldplugin.nsis
+          BYPRODUCTS ${CMAKE_BINARY_DIR}/LAMMPS-USER-BFIELD-plugin-${LAMMPS_VERSION}-MSMPI.exe)
+      else()
+        add_custom_target(${mytarget} ${MAKENSIS_PATH} -V1 -DVERSION=${LAMMPS_VERSION}-MPI bfieldplugin.nsis
+          WORKING_DIRECTORY ${CMAKE_BINARY_DIR}
+          DEPENDS bfieldplugin ${CMAKE_BINARY_DIR}/lammps.ico ${CMAKE_BINARY_DIR}/lammps-text-logo-wide.bmp ${CMAKE_BINARY_DIR}/bfieldplugin.nsis
+          BYPRODUCTS ${CMAKE_BINARY_DIR}/LAMMPS-USER-BFIELD-plugin-${LAMMPS_VERSION}-MPI.exe)
+      endif()
+    else()
+      add_custom_target(${mytarget} ${MAKENSIS_PATH} -V1 -DVERSION=${LAMMPS_VERSION} bfieldplugin.nsis
+        WORKING_DIRECTORY ${CMAKE_BINARY_DIR}
+        DEPENDS bfieldplugin ${CMAKE_BINARY_DIR}/lammps.ico ${CMAKE_BINARY_DIR}/lammps-text-logo-wide.bmp ${CMAKE_BINARY_DIR}/bfieldplugin.nsis
+        BYPRODUCTS LAMMPS-USER-BFIELD-plugin-${LAMMPS_VERSION}.exe)
+    endif()
+  endif()
+else()
+  set_target_properties(bfieldplugin PROPERTIES LINK_FLAGS "-rdynamic")
+endif()
diff --git a/USER-BFIELD/bfieldplugin.cpp b/USER-BFIELD/bfieldplugin.cpp
@@ -0,0 +1,29 @@
+
+#include "lammpsplugin.h"
+
+#include "version.h"
+
+#include "fix_bfield.h"
+
+using namespace LAMMPS_NS;
+
+static Fix *bfieldcreator(LAMMPS *lmp, int argc, char **argv)
+{
+  return new FixBfield(lmp, argc, argv);
+}
+
+extern "C" void lammpsplugin_init(void *lmp, void *handle, void *regfunc)
+{
+  lammpsplugin_t plugin;
+  lammpsplugin_regfunc register_plugin = (lammpsplugin_regfunc) regfunc;
+
+  // register bfield fix style
+  plugin.version = LAMMPS_VERSION;
+  plugin.style = "fix";
+  plugin.name = "bfield";
+  plugin.info = "fix bfield plugin v1.0";
+  plugin.author = "Axel Kohlmeyer ([email protected])";
+  plugin.creator.v2 = (lammpsplugin_factory2 *) &bfieldcreator;
+  plugin.handle = handle;
+  (*register_plugin)(&plugin, lmp);
+}
diff --git a/USER-BFIELD/bfieldplugin.nsis b/USER-BFIELD/bfieldplugin.nsis
@@ -0,0 +1,157 @@
+#!Nsis Installer Command Script
+#
+# The following external defines are recognized:
+# ${VERSION} = YYYYMMDD
+
+!include "MUI2.nsh"
+!include "FileFunc.nsh"
+
+!define MUI_ICON "lammps.ico"
+!define MUI_UNICON "lammps.ico"
+!define MUI_HEADERIMAGE
+!define MUI_HEADERIMAGE_BITMAP "lammps-text-logo-wide.bmp"
+!define MUI_HEADERIMAGE_RIGHT
+
+Unicode true
+XPStyle on
+
+!include "LogicLib.nsh"
+!addplugindir "envvar/Plugins/x86-unicode"
+!include "x64.nsh"
+
+RequestExecutionLevel user
+
+!macro VerifyUserIsAdmin
+UserInfo::GetAccountType
+pop $0
+${If} $0 != "admin"
+  messageBox mb_iconstop "Administrator rights required!"
+  setErrorLevel 740 ;ERROR_ELEVATION_REQUIRED
+  quit
+${EndIf}
+!macroend
+
+!define BFIELDPLUGIN "LAMMPS USER-BFIELD Plugin ${VERSION}"
+OutFile "LAMMPS-USER-BFIELD-plugin-${VERSION}.exe"
+
+Name "${BFIELDPLUGIN}"
+InstallDir "$LOCALAPPDATA\${BFIELDPLUGIN}"
+
+ShowInstDetails show
+ShowUninstDetails show
+SetCompressor lzma
+
+!define MUI_ABORTWARNING
+
+!insertmacro MUI_PAGE_DIRECTORY
+!insertmacro MUI_PAGE_INSTFILES
+
+!insertmacro MUI_UNPAGE_CONFIRM
+!insertmacro MUI_UNPAGE_INSTFILES
+
+!insertmacro MUI_LANGUAGE "English"
+
+function .onInit
+  # Determine if LAMMPS was already installed and check whether it was in 32-bit
+  # or 64-bit. Then look up path to uninstaller and offer to uninstall or quit
+  SetRegView 32
+  ReadRegDWORD $0 HKCU "Software\LAMMPS-USER-BFIELD" "Bits"
+  SetRegView LastUsed
+  ${If} $0 == "32"
+    SetRegView 32
+  ${ElseIf} $0 == "64"
+    SetRegView 64
+  ${Else}
+    SetRegView 64
+  ${EndIf}
+  ClearErrors
+  ReadRegStr $R0 HKCU "Software\Microsoft\Windows\CurrentVersion\Uninstall\LAMMPS-USER-BFIELD" "UninstallString"
+  SetRegView LastUsed
+  ${If} ${Errors}
+    DetailPrint "LAMMPS USER-BFIELD plugin not (yet) installed"
+  ${Else}
+    MessageBox MB_YESNO "LAMMPS USER-BFIELD plugin ($0 bit) is already installed. Uninstall existing version?" /SD IDYES IDNO Quit
+      Pop $R1
+      StrCmp $R1 2 Quit +1
+      Exec $R0
+    Quit:
+      Quit
+  ${EndIf}
+  setShellVarContext all
+functionEnd
+
+Section "${BFIELDPLUGIN}" SecPaceplugin
+  SectionIn RO
+  # Write LAMMPS installation bitness marker. Always use 32-bit registry view
+  SetRegView 32
+  IntFmt $0 "0x%08X" 64
+  WriteRegDWORD HKCU "Software\LAMMPS-USER-BFIELD" "Bits" $0
+
+  # Switch to "native" registry view
+  SetRegView 64
+  SetShellVarContext current
+
+  SetOutPath "$INSTDIR"
+  File lammps.ico
+  File bfieldplugin.so
+
+  # Register Application and its uninstaller
+  WriteRegStr HKCU "Software\Microsoft\Windows\CurrentVersion\Uninstall\LAMMPS-USER-BFIELD" \
+                 "DisplayName" "${BFIELDPLUGIN}"
+  WriteRegStr HKCU "Software\Microsoft\Windows\CurrentVersion\Uninstall\LAMMPS-USER-BFIELD" \
+                 "Publisher" "The LAMMPS and USER-BFIELD Developers"
+  WriteRegStr HKCU "Software\Microsoft\Windows\CurrentVersion\Uninstall\LAMMPS-USER-BFIELD" \
+                 "URLInfoAbout" "lammps.org"
+  WriteRegStr HKCU "Software\Microsoft\Windows\CurrentVersion\Uninstall\LAMMPS-USER-BFIELD" \
+                 "DisplayIcon" "$INSTDIR\lammps.ico"
+  WriteRegStr HKCU "Software\Microsoft\Windows\CurrentVersion\Uninstall\LAMMPS-USER-BFIELD" \
+                 "DisplayVersion" "${VERSION}"
+  WriteRegStr HKCU "Software\Microsoft\Windows\CurrentVersion\Uninstall\LAMMPS-USER-BFIELD" \
+                 "InstallLocation" "$INSTDIR"
+  WriteRegStr HKCU "Software\Microsoft\Windows\CurrentVersion\Uninstall\LAMMPS-USER-BFIELD" \
+                 "UninstallString" "$\"$INSTDIR\uninstall.exe$\""
+  WriteRegStr HKCU "Software\Microsoft\Windows\CurrentVersion\Uninstall\LAMMPS-USER-BFIELD" \
+                 "QuietUninstallString" "$\"$INSTDIR\uninstall.exe$\" /S"
+
+  ${GetSize} "$INSTDIR" "/S=0K" $0 $1 $2
+  IntFmt $0 "0x%08X" $0
+  WriteRegDWORD HKCU "Software\Microsoft\Windows\CurrentVersion\Uninstall\LAMMPS-USER-BFIELD" \
+                 "EstimatedSize" "$0"
+
+  # update path variables
+  EnVar::SetHKCU
+  # add to LAMMPS plugin search path
+  EnVar::AddValue "LAMMPS_PLUGIN_PATH" "$INSTDIR"
+
+  WriteUninstaller "$INSTDIR\Uninstall.exe"
+SectionEnd
+
+function un.onInit
+  SetShellVarContext current
+functionEnd
+
+Section "Uninstall"
+  # remove LAMMPS bitness/installation indicator always in 32-bit registry view
+  SetRegView 32
+  DeleteRegKey HKCU "Software\LAMMPS-USER-BFIELD"
+
+  # unregister extension, and uninstall info
+  SetRegView 64
+  SetShellVarContext current
+  # unregister installation
+  DeleteRegKey HKCU "Software\Microsoft\Windows\CurrentVersion\Uninstall\LAMMPS-USER-BFIELD"
+
+  # update path variables
+  EnVar::SetHKCU
+  # remove entry from LAMMPS plugin search path
+  EnVar::DeleteValue "LAMMPS_PLUGIN_PATH" "$INSTDIR"
+
+  Delete /REBOOTOK "$INSTDIR\bfieldplugin.so"
+  Delete /REBOOTOK "$INSTDIR\Uninstall.exe"
+  Delete /REBOOTOK "$INSTDIR\lammps.ico"
+  RMDir /REBOOTOK "$INSTDIR"
+SectionEnd
+
+# Local Variables:
+# mode: sh
+# End: