Unverified Commit 3b43fc3e authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

install msi2lmp force field files and set environment variable, so they can be found automatically

parent 0d8d8dc0

cmake/CMakeLists.txt

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@@ -1538,11 +1538,14 @@ if(BUILD_DOC) 
endif()



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

# Install potential files in data directory

# Install potential and force field files in data directory

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

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

install(DIRECTORY ${LAMMPS_SOURCE_DIR}/../potentials/ DESTINATION ${LAMMPS_POTENTIALS_DIR})



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

install(DIRECTORY ${LAMMPS_SOURCE_DIR}/../tools/msi2lmp/frc_files/ DESTINATION ${LAMMPS_FRC_FILES_DIR})



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)

install(

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

+3 −1
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# set environment for LAMMPS executables to find potential files

# 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@

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

+5 −2
Original line number Diff line number Diff line 
# set environment for LAMMPS executables to find potential files

export LAMMPS_POTENTIALS=${LAMMPS_POTENTIALS-@LAMMPS_POTENTIALS_DIR@}
 
# 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@}

export LAMMPS_POTENTIALS MSI2LMP_LIBRARY

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