Set up the cmake fortran compilaion

fortran/CMakeLists.txt

@@ -1,6 +1,24 @@
+cmake_minimum_required(VERSION 3.20.2)
+#This directory can be compiled as an autonomos project
+
+#install file for install-mode plumed
 install( FILES plumed_f08.f90  plumed.f90
-    DESTINATION ${CMAKE_INSTALL_LIBDIR}/${program_name}/fortran
+    DESTINATION ${DIRS_EXTRA_INSTALL}/fortran
     PERMISSIONS
         OWNER_WRITE
         OWNER_READ GROUP_READ WORLD_READ
-)
+)
+
+#copy file for build-only plumed
+file(COPY plumed_f08.f90  plumed.f90
+DESTINATION ${CMAKE_BINARY_DIR}/lib/plumed/fortran
+USE_SOURCE_PERMISSIONS
+)
+include(CheckLanguage)
+check_language(Fortran)
+if(NOT CMAKE_Fortran_COMPILER)
+  message(STATUS "Fortran cannot be compiled")
+  return()
+endif()
+
+#project(Plumed2Fortran LANGUAGES CXX Fortran)

fortran/Makefile

@@ -1,3 +1,4 @@
+#To the developer: use this simple makefile to generate the fortran interfaces
 all: plumed.f90 plumed_f08.f90
 
 plumed.f90: plumed.f90.template

regtest/CMakeLists.txt

@@ -12,14 +12,15 @@ if(NOT TARGET Plumed2::plumed_bin)
   #when testing in the build environment
   set(STANDALONE_TESTS ON)
   else()
-  set (Plumed2_DIR "${CMAKE_BINARY_DIR}/src/cmake")
+  set (Plumed2_DIR "${CMAKE_BINARY_DIR}/lib/cmake/plumed")
 endif()
 
 set(PLUMED_TEST_DIR ${CMAKE_CURRENT_SOURCE_DIR})
 set(run_ctest ${CMAKE_CURRENT_SOURCE_DIR}/scripts/run_ctest)
 
 #set (failRegex "FAILURE;ERROR;WARNING")
 set (failRegex "FAILURE;ERROR")
+set (skipRegex "NOT_APPLICABLE")
 
 set(PLUMED_TEST_KNOWN_TYPES
   simplemd
@@ -39,6 +40,7 @@ function(PLUMED_TEST test_name)
   #[EXPORTVARIABLES variable1 value1 variable2 value2 ...]
   #[NEEDS component1 component2 ...]
   #[MODULES module1 module2 ...]
+  #[COMPILER_LANGUAGE C11 or Fortran08]
   #[LABELS label1 label2 ...]
   #)
 
@@ -67,13 +69,15 @@ function(PLUMED_TEST test_name)
   #
   #With EXTRAFILES the user can specify a list of paths to files to be copied in the test directory
   #
-  #
   #With NEEDS the user can specify a list needed components, if the specified 
   #componets are not found by `plumed config has componentname` the test will be skipped.
   #
   #With MODULES the user can specify a list needed modules, if the specified 
   #componets are not found by `plumed config module modulename` the test will be skipped.
   #
+  #With COMPILER_LANGUAGE you can specify Fortan08 or C11 and the make test will be skipped if the compiler is not compatible (works ONLY 
+  #for make tests), note the argments are case insensitive
+  #
   #With LABELS the user can specify a collection of keyword that can be use to 
   #limit the number of test to be runned with ctest. The type and the home 
   #directory of the test are automatically set up as labels
@@ -82,7 +86,7 @@ function(PLUMED_TEST test_name)
   # will be automatically prepended to the specified arguments
 
   set(options "")
-  set(oneValueArgs "TYPE;ARGS;MPIPROCS")
+  set(oneValueArgs "TYPE;ARGS;MPIPROCS;COMPILER_LANGUAGE")
   set(multiValueArgs "EXTRAFILES;EXPORTVARIABLES;NEEDS;LABELS;MODULES")
   cmake_parse_arguments(PARSE_ARGV 1 PLUMED_TEST "${options}" "${oneValueArgs}"
     "${multiValueArgs}" )
@@ -108,6 +112,13 @@ function(PLUMED_TEST test_name)
   if(PLUMED_TEST_MPIPROCS)
     set(PLUMED_TEST_MPIPROCS "-p${PLUMED_TEST_MPIPROCS}")
   endif()
+
+  if(PLUMED_TEST_COMPILER_LANGUAGE)
+    string(TOLOWER ${PLUMED_TEST_COMPILER_LANGUAGE} PLUMED_TEST_COMPILER_LANGUAGE)
+    set(PLUMED_TEST_COMPILER_LANGUAGE "-c${PLUMED_TEST_COMPILER_LANGUAGE}")
+  endif()
+
+
   if(PLUMED_TEST_EXTRAFILES)
     set (t)
     foreach(extra IN LISTS PLUMED_TEST_EXTRAFILES)
@@ -163,6 +174,7 @@ function(PLUMED_TEST test_name)
     -d${CMAKE_CURRENT_SOURCE_DIR}
     ${PLUMED_TEST_MPIPROCS}
     ${PLUMED_TEST_EXTRAFILES}
+    ${PLUMED_TEST_COMPILER_LANGUAGE}
     ${nopt} ${PLUMED_TEST_NEEDS}
     ${mopt} ${PLUMED_TEST_MODULES}
     ${PLUMED_TEST_EXPORTVARIABLES}
@@ -180,6 +192,7 @@ function(PLUMED_TEST test_name)
 
   set_tests_properties(${testname} PROPERTIES
     FAIL_REGULAR_EXPRESSION "${failRegex}"
+    SKIP_REGULAR_EXPRESSION "${skipRegex}"
     SKIP_RETURN_CODE 125
     LABELS "${PLUMED_TEST_LABELS}")
 endfunction(PLUMED_TEST)

regtest/basic/rt-make-c11/CMakeLists.txt

@@ -1,6 +1,7 @@
 PLUMED_TEST(rt-make-c11 TYPE make
 EXPORTVARIABLES
 PLUMED_STACK_TRACE "no"
+COMPILER_LANGUAGE C11
 )
 #the following variable is the original config file
 set(originalConfig [[

regtest/basic/rt-make-fortran/CMakeLists.txt

@@ -1,4 +1,5 @@
 PLUMED_TEST(rt-make-fortran TYPE make
+COMPILER_LANGUAGE Fortran
 )
 #the following variable is the original config file
 set(originalConfig [[

regtest/basic/rt-make-fortran08/CMakeLists.txt

@@ -1,6 +1,7 @@
 PLUMED_TEST(rt-make-fortran08 TYPE make
 EXPORTVARIABLES
 PLUMED_STACK_TRACE "no"
+COMPILER_LANGUAGE Fortran08
 )
 #the following variable is the original config file
 set(originalConfig [[

regtest/scripts/run_ctest

@@ -196,18 +196,101 @@ run_make() {
   files=$(ls ./*.cpp ./*.f90 ./*.c 2>/dev/null)
   if [[ -n ${filesf90} ]]; then
     otherLang="${otherLang}enable_language (Fortran)\n"
+    if [[ $compiler_language = "fortran08" ]]; then
+      otherLang=$(
+        cat <<EOF
+${otherLang}
+include(CheckSourceCompiles)
+check_source_compiles( Fortran [[
+module test_fortran08_a
+implicit none
+type b
+contains
+  final :: c
+end type b
+contains
+  impure elemental subroutine c(x)
+    type(b), intent(inout) :: x
+  end subroutine c
+  subroutine sub(x)
+    integer :: x(:)
+    write(*,*) is_contiguous(x)
+  end subroutine sub
+end module test_fortran08_a
+
+program test
+  USE test_fortran08_a
+  type(b):: x
+  integer :: y(5)
+  call c(x)
+  call sub(y)
+end program
+]]
+HAVE_FORTRAN08
+)
+if(NOT HAVE_FORTRAN08)
+message (FATAL_ERROR "NOT_APPLICABLE (the compiler is not Fortran08 compatible)")
+endif()
+EOF
+      )
+      #alternative sligthly more complex way
+      #compileLibs="${compileLibs}add_library (PlumedFortran08)\n"
+      #otherLibs="${otherLibs} PlumedFortran08"
+      files="${files} \${Plumed2_FORTRAN08}"
+    else
+      # TODO maybe test both the compile methods for 08 and non 08 fortran
+      #alternative sligthly more complex way commented
+      compileLibs="${compileLibs}add_library (PlumedFortran \${Plumed2_FORTRAN})\n"
+      otherLibs="${otherLibs} PlumedFortran"
+      # files="${files} \${Plumed2_FORTRAN}"
+    fi
   fi
   if [[ -n ${filesC} ]]; then
     otherLang="${otherLang}enable_language (C)\n"
+    if [[ $compiler_language = "c11" ]]; then
+      otherLang=$(
+        cat <<EOF
+${otherLang}
+
+include(CheckSourceCompiles)
+check_source_compiles( C [[
+#ifdef __STDC_VERSION__
+#if __STDC_VERSION__ < 201112L
+error
+#endif
+#else
+error
+#endif
+
+int f(int a){
+  int x;
+  x=_Generic( 'a', char: 1, int: 2, long: 3, default: 0);
+  return a;
+}
+
+int main(void){
+  int x=10;
+  int k=f(x);
+}
+]]
+HAVE_C11
+)
+if(NOT HAVE_C11)
+message (FATAL_ERROR "NOT_APPLICABLE (the compiler is not C11 compatible)")
+endif()
+EOF
+      )
+    fi
   fi
   cat <<EOF >CMakeLists.txt
 cmake_minimum_required(VERSION 3.20)
 project(exe-test CXX)
 $(echo -e "$otherLang")
 find_package(Plumed2 REQUIRED)
+$(echo -e "$compileLibs")
 add_executable(exe ${files})
 target_link_libraries(exe PUBLIC
-  Plumed2::sharedplumedMain
+  Plumed2::sharedplumedMain $otherLibs
   #automatically links to the shared kernel Plumed2::sharedplumedKernel 
 )
 install (TARGETS exe
@@ -287,12 +370,13 @@ set -o pipefail
   extra_files=()
   valgrind="env"
 
-  while getopts "a:d:e:f:l:m:n:p:v" option; do
+  while getopts "a:c:d:e:f:l:m:n:p:v" option; do
     #echo "$option -> ${OPTARG}"
     case "$option" in
     #the
     a) args=${OPTARG} ;;
     #the directory with the source of the test
+    c) compiler_language=${OPTARG} ;;
     d) dir=${OPTARG} ;;
     e)
       name=${OPTARG%=*}
@@ -334,6 +418,7 @@ EOF
   export args
   export plumed_modules
   export plumed_needs
+  export compiler_language
   export extra_files
   export valgind
   export plumed

regtest/testIntegrity/checkMODULESFAIL/CMakeLists.txt

@@ -9,3 +9,4 @@ set_tests_properties(${TEST_DIR}-checkMODULES_SHOULD_FAIL PROPERTIES
     WILL_FAIL ON
     )
 set_property(TEST ${TEST_DIR}-checkMODULES_SHOULD_FAIL PROPERTY SKIP_RETURN_CODE)
+set_property(TEST ${TEST_DIR}-checkMODULES_SHOULD_FAIL PROPERTY SKIP_REGULAR_EXPRESSION)

regtest/testIntegrity/checkNEEDS/CMakeLists.txt

@@ -6,3 +6,4 @@ set_tests_properties(${TEST_DIR}-checkNEEDS_SHOULD_FAIL PROPERTIES
     WILL_FAIL ON
     )
 set_property(TEST ${TEST_DIR}-checkNEEDS_SHOULD_FAIL PROPERTY SKIP_RETURN_CODE)
+set_property(TEST ${TEST_DIR}-checkNEEDS_SHOULD_FAIL PROPERTY SKIP_REGULAR_EXPRESSION)

src/cmake/CMakeLists.txt

@@ -50,35 +50,51 @@ if(BoostCompontents)
 endif()
 
 list(JOIN EXTERNAL_PACKAGES "\n" EXTERNAL_PACKAGES)
-
+#this is the installed version
 configure_package_config_file(
     PlumedConfig.cmake.in
-    Plumed2Config.cmake
+    "Plumed2Config.cmake"
+    INSTALL_DESTINATION
+      ${DIRS_CMAKE_INSTALL}
+    PATH_VARS 
+      DIRS_INCLUDE_INSTALL 
+      DIRS_LIB_INSTALL
+      DIRS_BIN_INSTALL
+      DIRS_EXTRA_INSTALL
+)
+#This is the build version
+configure_package_config_file(
+    PlumedConfig.cmake.in
+    "${CMAKE_BINARY_DIR}/lib/cmake/plumed/Plumed2Config.cmake"
     INSTALL_DESTINATION 
-    ${DIRS_CMAKE_INSTALL}
-    PATH_VARS DIRS_INCLUDE_INSTALL 
-    DIRS_LIB_INSTALL
-    DIRS_BIN_INSTALL
+     ${CMAKE_BINARY_DIR}/lib/cmake/plumed/
+    PATH_VARS 
+      DIRS_INCLUDE_INSTALL 
+      DIRS_LIB_INSTALL
+      DIRS_BIN_INSTALL
+      DIRS_EXTRA_INSTALL
+    INSTALL_PREFIX
+      ${CMAKE_BINARY_DIR}
 )
 
 ################################################################################
 ######################Creating Plumed2ConfigVersion.cmake#######################
 ################################################################################
-write_basic_package_version_file(Plumed2ConfigVersion.cmake
+write_basic_package_version_file("${CMAKE_BINARY_DIR}/lib/cmake/plumed/Plumed2ConfigVersion.cmake"
   VERSION ${PLUMED_VERSION_MAJOR}.${PLUMED_VERSION_MINOR}.${PLUMED_VERSION_PATCH}
   #COMPATIBILITY <AnyNewerVersion|SameMajorVersion|SameMinorVersion|ExactVersion>
   COMPATIBILITY SameMinorVersion
 )
 
 install(FILES ${CMAKE_CURRENT_BINARY_DIR}/Plumed2Config.cmake
-              ${CMAKE_CURRENT_BINARY_DIR}/Plumed2ConfigVersion.cmake
+              ${CMAKE_BINARY_DIR}/lib/cmake/plumed/Plumed2ConfigVersion.cmake
               PlumedUserMacros.cmake #This installs the macros for the user
   DESTINATION ${DIRS_CMAKE_INSTALL}
 )
 
 #this is needed to have PlumedUserMacros.cmake avaiable in the build configuration
 file(COPY PlumedUserMacros.cmake
-  DESTINATION ${CMAKE_CURRENT_BINARY_DIR}
+  DESTINATION ${CMAKE_BINARY_DIR}/lib/cmake/plumed/
 )
 
 foreach(exportetTargets Plumed2MODULES Plumed2WRAPPERS Plumed2LIBS Plumed2EXEC)
@@ -88,6 +104,7 @@ foreach(exportetTargets Plumed2MODULES Plumed2WRAPPERS Plumed2LIBS Plumed2EXEC)
   )
   export(EXPORT ${exportetTargets}
     NAMESPACE Plumed2::
-    FILE "${CMAKE_CURRENT_BINARY_DIR}/${exportetTargets}.cmake"
+    FILE "${CMAKE_BINARY_DIR}/lib/cmake/plumed/${exportetTargets}.cmake"
   )
 endforeach(exportetTargets )
+

src/cmake/PlumedConfig.cmake.in

@@ -14,9 +14,40 @@ include("${CMAKE_CURRENT_LIST_DIR}/Plumed2EXEC.cmake")
 #user macros are included in this .cmake
 include("${CMAKE_CURRENT_LIST_DIR}/PlumedUserMacros.cmake")
 
-#set_and_check(Plumed2_INCLUDE_DIR "@PACKAGE_DIRS_INCLUDE_INSTALL@")
-#set_and_check(Plumed2_LIB_DIR "@PACKAGE_DIRS_LIB_INSTALL@")
-#set_and_check(Plumed2_BIN_DIR "@PACKAGE_DIRS_BIN_INSTALL@")
+#TODO: set up the build dir to work with these in build-only mode
+# set_and_check(Plumed2_INCLUDE_DIR "@PACKAGE_DIRS_INCLUDE_INSTALL@")
+set_and_check(Plumed2_LIB_DIR "@PACKAGE_DIRS_LIB_INSTALL@")
+# set_and_check(Plumed2_BIN_DIR "@PACKAGE_DIRS_BIN_INSTALL@")
+set_and_check(Plumed2_EXTRA_DIR "@PACKAGE_DIRS_EXTRA_INSTALL@")
+set_and_check(Plumed2_FORTRAN_DIR "@PACKAGE_DIRS_EXTRA_INSTALL@/fortran")
+# set_and_check(Plumed2_VIM_DIR "@PACKAGE_DIRS_EXTRA_INSTALL@/vim")
+# set_and_check(Plumed2_SCRIPTS_DIR "@PACKAGE_DIRS_EXTRA_INSTALL@/scripts")
+# set_and_check(Plumed2_PATCHES_DIR "@PACKAGE_DIRS_EXTRA_INSTALL@/patches")
+
+#TODO: add to the manual:
+# To compile a fortran executable with plumed you have (at least) two ways write the CMakeLists.txt:
+# Method 1:
+# ```
+# cmake_minimum_required(VERSION 3.20)
+# project(exe-test CXX Fortran)
+# find_package(Plumed2 REQUIRED)
+# add_executable(exe main.f9 source.f90 ${Plumed2_FORTRAN})
+# # and then link the wanted plumed library
+# target_link_libraries(exe PUBLIC Plumed2::sharedplumedMain)
+# ```
+# Method 2:
+# ```
+# cmake_minimum_required(VERSION 3.20)
+# project(exe-test CXX Fortran)
+# find_package(Plumed2 REQUIRED)
+# #compiling PlumedFortran as a separated library
+# add_library (PlumedFortran ${Plumed2_FORTRAN})
+# add_executable(exe main.f9 source.f90)
+# #and linking it to the exe along with the wanted plumed library
+# target_link_libraries(exe PUBLIC Plumed2::sharedplumedKernel PlumedFortran)
+# ```
+set(Plumed2_FORTRAN "${Plumed2_FORTRAN_DIR}/plumed.f90")
+set(Plumed2_FORTRAN08 "${Plumed2_FORTRAN_DIR}/plumed_f08.f90")
 
 set(Plumed2_DIR "${CMAKE_CURRENT_LIST_DIR}")