From: Cezary Czaplewski Date: Sun, 22 Mar 2020 11:52:51 +0000 (+0100) Subject: ctest dfa X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=commitdiff_plain;h=be1694c2230edd089d8654c0412fa9f00b26f7c1 ctest dfa --- diff --git a/ctest/dfa_newcorr/dfa_wham.cx b/ctest/dfa_newcorr/dfa_wham.cx new file mode 100644 index 0000000..3586a6f Binary files /dev/null and b/ctest/dfa_newcorr/dfa_wham.cx differ diff --git a/ctest/dfa_newcorr/remd_dfa_MD000.cx b/ctest/dfa_newcorr/remd_dfa_MD000.cx index 4ac0b9c..a9aedc7 100644 Binary files a/ctest/dfa_newcorr/remd_dfa_MD000.cx and b/ctest/dfa_newcorr/remd_dfa_MD000.cx differ diff --git a/source/wham/src-M-SAXS-homology/CMakeLists.txt b/source/wham/src-M-SAXS-homology/CMakeLists.txt index 17d0113..2431360 100644 --- a/source/wham/src-M-SAXS-homology/CMakeLists.txt +++ b/source/wham/src-M-SAXS-homology/CMakeLists.txt @@ -400,7 +400,7 @@ if(UNRES_MD_FF STREQUAL "E0LL2Y") FILE_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE ) - add_test(NAME WHAM_M_remd_dfa COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/dfa/wham_mpi_E0LL2Y_dfa.sh dfa_wham 2 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/dfa ) + add_test(NAME WHAM_M_remd_dfa COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/dfa/wham_mpi_E0LL2Y.sh dfa_wham 2 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/dfa ) endif(UNRES_DFA) add_test(NAME WHAM_M_remd COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/wham_mpi_E0LL2Y.sh 1L2Y_wham 2 ) @@ -426,6 +426,9 @@ if(UNRES_MD_FF STREQUAL "NEWCORR") FILE(COPY ${CMAKE_SOURCE_DIR}/ctest/dfa DESTINATION ${CMAKE_CURRENT_BINARY_DIR} ) + FILE(COPY ${CMAKE_SOURCE_DIR}/ctest/dfa_newcorr/ + DESTINATION ${CMAKE_CURRENT_BINARY_DIR}/dfa/ FILES_MATCHING PATTERN "*" ) + FILE( COPY ${CMAKE_CURRENT_BINARY_DIR}/scripts/wham_mpi_E0LL2Y.sh DESTINATION ${CMAKE_CURRENT_BINARY_DIR}/dfa FILE_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE