Unverified Commit 191044ab authored by Axel Kohlmeyer's avatar Axel Kohlmeyer Committed by GitHub
Browse files

Merge pull request #1588 from akohlmey/cmake-installation-folder-bugfix 

Fix bugs with CMake potentials and frc folder installation. Include base C++ headers for library install, too, so one can use the C++ interface as well.
parents 35cee904 e0b20c4f

cmake/CMakeLists.txt

+39 −5
Original line number Diff line number Diff line
@@ -497,10 +497,44 @@ if(BUILD_LIB) 
  if(LAMMPS_DEPS)

    add_dependencies(lammps ${LAMMPS_DEPS})

  endif()

  set(LAMMPS_CXX_HEADERS

    angle.h

    atom.h

    bond.h

    citeme.h

    comm.h

    compute.h

    dihedral.h

    domain.h

    error.h

    fix.h

    force.h

    group.h

    improper.h

    input.h

    kspace.h

    lammps.h

    lattice.h

    lmppython.h

    memory.h

    modify.h

    neighbor.h

    neigh_list.h

    output.h

    pair.h

    pointers.h

    region.h

    timer.h

    universe.h

    update.h

    variable.h)

  list(TRANSFORM LAMMPS_CXX_HEADERS PREPEND ${LAMMPS_SOURCE_DIR}/)



  set_target_properties(lammps PROPERTIES OUTPUT_NAME lammps${LAMMPS_LIB_SUFFIX})

  set_target_properties(lammps PROPERTIES SOVERSION ${SOVERSION})

  install(TARGETS lammps LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR} ARCHIVE DESTINATION ${CMAKE_INSTALL_LIBDIR})

  install(FILES ${LAMMPS_SOURCE_DIR}/library.h DESTINATION ${CMAKE_INSTALL_INCLUDEDIR}/lammps)

  install(FILES ${LAMMPS_CXX_HEADERS} DESTINATION ${CMAKE_INSTALL_INCLUDEDIR}/lammps)

  configure_file(pkgconfig/liblammps.pc.in ${CMAKE_CURRENT_BINARY_DIR}/liblammps${LAMMPS_LIB_SUFFIX}.pc @ONLY)

  install(FILES ${CMAKE_CURRENT_BINARY_DIR}/liblammps${LAMMPS_LIB_SUFFIX}.pc DESTINATION ${CMAKE_INSTALL_LIBDIR}/pkgconfig)

  configure_file(FindLAMMPS.cmake.in ${CMAKE_CURRENT_BINARY_DIR}/FindLAMMPS${LAMMPS_LIB_SUFFIX}.cmake @ONLY)
@@ -551,11 +585,11 @@ include(Documentation) 
###############################################################################

# Install potential and force field files in data directory

###############################################################################

set(LAMMPS_INSTALL_POTENTIALS_DIR ${CMAKE_INSTALL_FULL_DATADIR}/lammps/potentials)

install(DIRECTORY ${LAMMPS_POTENTIALS_DIR} DESTINATION ${LAMMPS_INSTALL_POTENTIALS_DIR})



set(LAMMPS_INSTALL_FRC_FILES_DIR ${CMAKE_INSTALL_FULL_DATADIR}/lammps/frc_files)

install(DIRECTORY ${LAMMPS_TOOLS_DIR}/msi2lmp/frc_files/ DESTINATION ${LAMMPS_INSTALL_FRC_FILES_DIR})

set(LAMMPS_INSTALL_DATADIR ${CMAKE_INSTALL_FULL_DATADIR}/lammps)

install(DIRECTORY ${LAMMPS_POTENTIALS_DIR} DESTINATION ${LAMMPS_INSTALL_DATADIR})

if(BUILD_TOOLS)

  install(DIRECTORY ${LAMMPS_TOOLS_DIR}/msi2lmp/frc_files DESTINATION ${LAMMPS_INSTALL_DATADIR})

endif()



configure_file(etc/profile.d/lammps.sh.in ${CMAKE_BINARY_DIR}/etc/profile.d/lammps.sh @ONLY)

configure_file(etc/profile.d/lammps.csh.in ${CMAKE_BINARY_DIR}/etc/profile.d/lammps.csh @ONLY)

cmake/etc/profile.d/lammps.csh.in

+2 −2
Original line number Diff line number Diff line 
# set environment for LAMMPS and msi2lmp executables

# to find potential and force field files

if ( "$?LAMMPS_POTENTIALS" == 0 ) setenv LAMMPS_POTENTIALS @LAMMPS_POTENTIALS_DIR@

if ( "$?MSI2LMP_LIBRARY" == 0 ) setenv MSI2LMP_LIBRARY @LAMMPS_FRC_FILES_DIR@
 
if ( "$?LAMMPS_POTENTIALS" == 0 ) setenv LAMMPS_POTENTIALS @LAMMPS_INSTALL_DATADIR@/potentials

if ( "$?MSI2LMP_LIBRARY" == 0 ) setenv MSI2LMP_LIBRARY @LAMMPS_INSTALL_DATADIR@/frc_files

cmake/etc/profile.d/lammps.sh.in

+2 −2
Original line number Diff line number Diff line 
# set environment for LAMMPS and msi2lmp executables

# to find potential and force field files

LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS-@LAMMPS_POTENTIALS_DIR@}

MSI2LMP_LIBRARY=${MSI2LMP_LIBRARY-@LAMMPS_FRC_FILES_DIR@}

LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS-@LAMMPS_INSTALL_DATADIR@/potentials}

MSI2LMP_LIBRARY=${MSI2LMP_LIBRARY-@LAMMPS_INSTALL_DATADIR@/frc_files}

export LAMMPS_POTENTIALS MSI2LMP_LIBRARY

doc/src/Build_cmake.txt

+8 −2
Original line number Diff line number Diff line
@@ -52,11 +52,17 @@ LAMMPS or need to re-compile LAMMPS repeatedly, installation of the 
ccache (= Compiler Cache) software may speed up repeated compilation

even more.



After compilation, you can optionally copy the LAMMPS executable and

library into your system folders (by default under $HOME/.local) with:

After compilation, you may optionally install the LAMMPS executable into

your system with:



make install    # optional, copy LAMMPS executable & library elsewhere :pre



This will install the lammps executable and library (if requested), some

tools (if configured) and additional files like library API headers,

manpages, potential and force field files. The location of the installation

tree is set by the CMake variable "CMAKE_INSTALL_PREFIX" which defaults

to $\{HOME\}/.local



:line



There are 3 variants of CMake: a command-line version (cmake), a text mode

doc/utils/sphinx-config/false_positives.txt

+1 −0
Original line number Diff line number Diff line
@@ -1539,6 +1539,7 @@ Mandelli 
Manh

manifoldforce

Manolopoulos

manpages

manybody

MANYBODY

Maras

CRA Git | Maintained and supported by SUSTech CRA and CCSE