From 3b43fc3ea7de5d2b245dc2a7baa3ab71d3b57b35 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sat, 6 Apr 2019 20:41:00 -0400 Subject: [PATCH] install msi2lmp force field files and set environment variable, so they can be found automatically --- cmake/CMakeLists.txt | 5 ++++- cmake/etc/profile.d/lammps.csh.in | 4 +++- cmake/etc/profile.d/lammps.sh.in | 7 +++++-- 3 files changed, 12 insertions(+), 4 deletions(-) diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt index 47a37f1db5..d17e9dab19 100644 --- a/cmake/CMakeLists.txt +++ b/cmake/CMakeLists.txt @@ -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 ${CMAKE_BINARY_DIR}/etc/profile.d/lammps.csh @ONLY) install( diff --git a/cmake/etc/profile.d/lammps.csh.in b/cmake/etc/profile.d/lammps.csh.in index def49bf75c..42f222d67c 100644 --- a/cmake/etc/profile.d/lammps.csh.in +++ b/cmake/etc/profile.d/lammps.csh.in @@ -1,2 +1,4 @@ -# set environment for LAMMPS executables to find potential files +# set environment for LAMMPS and msi2lmp executables +# to find potential and force field files if ( "$?LAMMPS_POTENTIALS" == 0 ) setenv LAMMPS_POTENTIALS @LAMMPS_POTENTIALS_DIR@ +if ( "$?MSI2LMP_LIBRARY" == 0 ) setenv MSI2LMP_LIBRARY @LAMMPS_FRC_FILES_DIR@ diff --git a/cmake/etc/profile.d/lammps.sh.in b/cmake/etc/profile.d/lammps.sh.in index acd75fa0cf..c1967cb5b2 100644 --- a/cmake/etc/profile.d/lammps.sh.in +++ b/cmake/etc/profile.d/lammps.sh.in @@ -1,2 +1,5 @@ -# set environment for LAMMPS executables to find potential files -export LAMMPS_POTENTIALS=${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