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add more thorough checks on Fortran and MPI support for Fortran.

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also works around issue with GNU Fortran 12 and later
This commit is contained in:
Axel Kohlmeyer
2023-01-13 11:02:24 -05:00
parent a1f5d8420a
commit 8e138161af
5 changed files with 30 additions and 15 deletions
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8
doc/src/Fortran.rst
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@ -47,6 +47,14 @@ Fortran code in order to uses the Fortran interface.
A working example can be found together with equivalent examples in C and
C++ in the ``examples/COUPLE/simple`` folder of the LAMMPS distribution.
.. admonitions:: Fortran compiler compatibility
A fully Fortran 2003 compatible Fortran compiler is required.
This means that currently only GNU Fortran 9 and later are
compatible and thus the default compilers of Red Hat or CentOS 7
and Ubuntu 18.04 LTS and not compatible. Either newer compilers
need to be installed or the Linux updated.
.. versionchanged:: TBD
.. note::

23
examples/COUPLE/simple/CMakeLists.txt
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@ -52,32 +52,37 @@ if(LAMMPS_SOURCE_DIR)
include(CheckLanguage)
check_language(Fortran)
if(CMAKE_Fortran_COMPILER AND MPI_Fortran_FOUND AND MPI_Fortran_HAVE_F90_MODULE)
if(CMAKE_Fortran_COMPILER)
enable_language(Fortran)
# need to check for MPI again to include Fortran components, since Fortran wasn't enabled before
find_package(MPI QUIET COMPONENTS Fortran)
if(NOT CMAKE_Fortran_COMPILER_ID)
message(STATUS "Skipping Tests for the LAMMPS Fortran Module: cannot identify Fortran compiler")
if(NOT (MPI_Fortran_FOUND AND MPI_Fortran_HAVE_F90_MODULE))
message(STATUS "Insufficient MPI Fortran support. Skipping building simpleF90")
return()
endif()
# GNU Fortran 4.8.x on RHEL/CentOS 7.x is not sufficient to compile the Fortran module.
# GNU Fortran 7.x on Ubuntu 18.04LTS fails as well.
# Work around flang being detected as GNU
get_filename_component(_tmp_fc ${CMAKE_Fortran_COMPILER} NAME)
if((CMAKE_Fortran_COMPILER_ID STREQUAL "GNU") AND (CMAKE_Fortran_COMPILER_VERSION VERSION_LESS 6.0) AND NOT (_tmp_fc STREQUAL "flang"))
message(FATAL_ERROR "Need GNU Fortran compiler version 6.x or later for unit testing")
if((CMAKE_Fortran_COMPILER_ID STREQUAL "GNU") AND (CMAKE_Fortran_COMPILER_VERSION VERSION_LESS 9.0) AND NOT (_tmp_fc STREQUAL "flang"))
message(STATUS "Need GNU Fortran compiler version 9.x or later for LAMMPS Fortran module")
return()
endif()
get_filename_component(LAMMPS_FORTRAN_MODULE ${LAMMPS_SOURCE_DIR}/../fortran/lammps.f90 ABSOLUTE)
add_executable(simpleF90 ${LAMMPS_FORTRAN_MODULE} simple.f90)
target_link_libraries(simpleF90 PRIVATE MPI::MPI_Fortran LAMMPS::lammps)
if(CMAKE_Fortran_COMPILER_ID STREQUAL "GNU")
target_compile_options(simpleF90 PRIVATE -fallow-argument-mismatch)
endif()
get_filename_component(_tmp_fc ${CMAKE_Fortran_COMPILER} NAME)
if (_tmp_fc STREQUAL "flang")
target_link_libraries(simpleF90 PRIVATE gfortran)
endif()
include(CheckFortranCompilerFlag)
check_fortran_compiler_flag(-fallow-argument-mismatch HAS_MISMATCH)
if(HAS_MISMATCH)
target_compile_options(simpleF90 PRIVATE -fallow-argument-mismatch)
endif()
endif()
endif()

3
fortran/README
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@ -1,6 +1,7 @@
This directory contains Fortran code that acts as an interface to LAMMPS as a
library and allows the LAMMPS library interface to be invoked from Fortran
code. It requires a Fortran compiler that supports the Fortran 2003 standard.
code. It requires a Fortran compiler that supports the Fortran 2003 standard
sufficiently well. For example GNU Fortran 9.x or later is currently required.
This interface is based on and supersedes the previous Fortran interfaces
in the examples/COUPLE/fortran* folders, but it is fully supported by the

3
unittest/c-library/CMakeLists.txt
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@ -88,8 +88,7 @@ if(BUILD_MPI)
add_test(NAME RunCoupleSimpleCC
COMMAND $<TARGET_FILE:simpleCC> 1 ${LAMMPS_DIR}/examples/COUPLE/simple/in.lj)
find_package(MPI QUIET)
if(CMAKE_Fortran_COMPILER AND MPI_Fortran_FOUND AND MPI_Fortran_HAVE_F90_MODULE)
if($<TARGET_EXISTS:simpleF90>)
add_test(NAME RunCoupleSimpleF90
COMMAND $<TARGET_FILE:simpleF90> 1 ${LAMMPS_DIR}/examples/COUPLE/simple/in.lj)
set_tests_properties(RunCoupleSimpleF90 PROPERTIES

8
unittest/fortran/CMakeLists.txt
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@ -14,10 +14,12 @@ if(CMAKE_Fortran_COMPILER)
message(STATUS "Skipping Tests for the LAMMPS Fortran Module: cannot identify Fortran compiler")
return()
endif()
# GNU Fortran 4.8.x on RHEL/CentOS 7.x is not sufficient to compile the Fortran module. Work around flang being detected as GNU
# GNU Fortran 4.8.x on RHEL/CentOS 7.x is not sufficient to compile the Fortran module.
# Also GNU Fortran 7.x on Ubuntu18.04LTS is not sufficient. Work around flang being detected as GNU
get_filename_component(_tmp_fc ${CMAKE_Fortran_COMPILER} NAME)
if((CMAKE_Fortran_COMPILER_ID STREQUAL "GNU") AND (CMAKE_Fortran_COMPILER_VERSION VERSION_LESS 6.0) AND NOT (_tmp_fc STREQUAL "flang"))
message(FATAL_ERROR "Need GNU Fortran compiler version 6.x or later for unit testing")
if((CMAKE_Fortran_COMPILER_ID STREQUAL "GNU") AND (CMAKE_Fortran_COMPILER_VERSION VERSION_LESS 9.0) AND NOT (_tmp_fc STREQUAL "flang"))
message(STATUS "Need GNU Fortran compiler version 9.x or later for Fortran unit testing. Skipping...")
return()
endif()
get_filename_component(LAMMPS_FORTRAN_MODULE ${LAMMPS_SOURCE_DIR}/../fortran/lammps.f90 ABSOLUTE)