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added "make install" support for: unres (MD, MD-M, MIN) and maxlik
[unres.git]
/
source
/
unres
/
src_MD
/
CMakeLists.txt
diff --git
a/source/unres/src_MD/CMakeLists.txt
b/source/unres/src_MD/CMakeLists.txt
index
dea499c
..
c038066
100644
(file)
--- a/
source/unres/src_MD/CMakeLists.txt
+++ b/
source/unres/src_MD/CMakeLists.txt
@@
-308,6
+308,12
@@
endif(UNRES_WITH_MPI)
target_link_libraries( UNRES_BIN-MD xdrf )
#=========================================
target_link_libraries( UNRES_BIN-MD xdrf )
#=========================================
+# INSTALL
+#=========================================
+
+install(TARGETS UNRES_BIN-MD RUNTIME DESTINATION unrespack/bin)
+
+#=========================================
# TESTS
#=========================================
# TESTS
#=========================================
@@
-331,6
+337,13
@@
target_link_libraries( UNRES_BIN-MD xdrf )
#=========================================
# test_single_ala.sh
#=========================================
#=========================================
# test_single_ala.sh
#=========================================
+#
+# Set parmaeters depending on force field
+if(UNRES_MD_FF STREQUAL "GAB")
+ set(UNRES_BONDPAR "bond.parm")
+elseif(UNRES_MD_FF STREQUAL "E0LL2Y")
+ set(UNRES_BONDPAR "bond_AM1.parm")
+endif(UNRES_MD_FF STREQUAL "GAB")
FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/scripts/test_single_ala.sh
"#!/bin/sh
FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/scripts/test_single_ala.sh
"#!/bin/sh
@@
-340,7
+353,7
@@
export PREFIX=ala10
UNRES_BIN=./${UNRES_BIN}
#-----------------------------------------------------------------------------
DD=${CMAKE_SOURCE_DIR}/PARAM
UNRES_BIN=./${UNRES_BIN}
#-----------------------------------------------------------------------------
DD=${CMAKE_SOURCE_DIR}/PARAM
-export BONDPAR=$DD/bond.parm
+export BONDPAR=$DD/${UNRES_BONDPAR}
export THETPAR=$DD/thetaml.5parm
export ROTPAR=$DD/scgauss.parm
export TORPAR=$DD/torsion_631Gdp.parm
export THETPAR=$DD/thetaml.5parm
export ROTPAR=$DD/scgauss.parm
export TORPAR=$DD/torsion_631Gdp.parm