X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres-dock%2FCMakeLists.txt;h=6e9c142bc774c2aec1b9d48a46e56fe1fe49b05e;hb=df5ad6c769f328b01ef15673420b789f998f0d83;hp=e52ed48d2c042f97dcc9a3e475d04421215aa827;hpb=7980f79b7d2bac583153caace7127c57b89119aa;p=unres.git diff --git a/source/unres-dock/CMakeLists.txt b/source/unres-dock/CMakeLists.txt index e52ed48..6e9c142 100644 --- a/source/unres-dock/CMakeLists.txt +++ b/source/unres-dock/CMakeLists.txt @@ -52,6 +52,20 @@ install(TARGETS UNRES_DOCK_BIN DESTINATION ${CMAKE_INSTALL_PREFIX}/unres-dock) if(UNRES_WITH_MPI) + set(DFA "") + set(HCD-5D "") + if(UNRES_DFA) + set(DFA "_DFA") + endif() + if(UNRES_5D) + set(HCD-5D "_HCD-5D") + endif() + + set(UNRES_BIN "unresMD-mult_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}${HCD-5D}${DFA}.exe") + set(UNRES_WHAM_M_BIN "wham-mult_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}${HCD-5D}${DFA}.exe") + set(UNRES_CLUSTER_WHAM_M_BIN "cluster_wham-mult_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}${HCD-5D}${DFA}.exe") + + FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/scripts/test_mpi_DOCK.sh "#!/bin/sh @@ -81,15 +95,6 @@ FILE( COPY ${CMAKE_CURRENT_BINARY_DIR}/scripts/test_mpi_DOCK.sh FILE(COPY ${CMAKE_SOURCE_DIR}/ctest/dock/ DESTINATION ${CMAKE_CURRENT_BINARY_DIR} FILES_MATCHING PATTERN "*" ) - if (UNRES_5D) - set(UNRES_BIN "unresMD-mult_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}_HCD-5D.exe") - set(UNRES_WHAM_M_BIN "wham-mult_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}_HCD-5D.exe") - set(UNRES_CLUSTER_WHAM_M_BIN "cluster_wham-mult_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}_HCD-5D.exe") - else() - set(UNRES_BIN "unresMD-mult_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}.exe") - set(UNRES_WHAM_M_BIN "wham-mult_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}.exe") - set(UNRES_CLUSTER_WHAM_M_BIN "cluster_wham-mult_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}.exe") - endif() FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/scripts/test_mpi_E0LL2Y.sh "#!/bin/sh @@ -223,16 +228,6 @@ FILE( COPY ${CMAKE_CURRENT_BINARY_DIR}/scripts/cluster_wham_mpi_E0LL2Y.sh FILE(COPY ${CMAKE_SOURCE_DIR}/ctest/dock_newcorr/ DESTINATION ${CMAKE_CURRENT_BINARY_DIR} FILES_MATCHING PATTERN "*" ) - if (UNRES_5D) - set(UNRES_BIN "unresMD-mult_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}_HCD-5D.exe") - set(UNRES_WHAM_M_BIN "wham-mult_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}_HCD-5D.exe") - set(UNRES_CLUSTER_WHAM_M_BIN "cluster_wham-mult_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}_HCD-5D.exe") - else() - set(UNRES_BIN "unresMD-mult_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}.exe") - set(UNRES_WHAM_M_BIN "wham-mult_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}.exe") - set(UNRES_CLUSTER_WHAM_M_BIN "cluster_wham-mult_${Fortran_COMPILER_NAME}_MPI_${UNRES_MD_FF}.exe") - endif() - FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/scripts/test_mpi_E0LL2Y.sh "#!/bin/sh export POT=GB