diff -up gromacs-a7093a73959458a1f4aa4e384104a5515a4f2863/src/gromacs/CMakeLists.txt.lmfit gromacs-a7093a73959458a1f4aa4e384104a5515a4f2863/src/gromacs/CMakeLists.txt
--- gromacs-a7093a73959458a1f4aa4e384104a5515a4f2863/src/gromacs/CMakeLists.txt.lmfit 2016-02-23 22:23:54.000000000 +0100
+++ gromacs-a7093a73959458a1f4aa4e384104a5515a4f2863/src/gromacs/CMakeLists.txt 2016-02-24 11:30:09.673453825 +0100
@@ -203,6 +203,7 @@ target_link_libraries(libgromacs
${GMX_EXTRA_LIBRARIES}
${TNG_IO_LIBRARIES}
${FFT_LIBRARIES} ${LINEAR_ALGEBRA_LIBRARIES}
+ ${LMFIT_LIBRARIES}
${XML_LIBRARIES}
${THREAD_LIB} ${GMX_SHARED_LINKER_FLAGS} ${OPENCL_LIBRARIES})
set_target_properties(libgromacs PROPERTIES
diff -up gromacs-a7093a73959458a1f4aa4e384104a5515a4f2863/src/gromacs/correlationfunctions/CMakeLists.txt.lmfit gromacs-a7093a73959458a1f4aa4e384104a5515a4f2863/src/gromacs/correlationfunctions/CMakeLists.txt
--- gromacs-a7093a73959458a1f4aa4e384104a5515a4f2863/src/gromacs/correlationfunctions/CMakeLists.txt.lmfit 2016-02-24 11:30:09.673453825 +0100
+++ gromacs-a7093a73959458a1f4aa4e384104a5515a4f2863/src/gromacs/correlationfunctions/CMakeLists.txt 2016-02-24 11:33:47.587456640 +0100
@@ -33,9 +33,9 @@
# the research papers on the package. Check out http://www.gromacs.org.
file(GLOB GMXCORRFUNC_SOURCES *.cpp)
-file(GLOB LMFIT_SOURCES ${CMAKE_SOURCE_DIR}/src/external/lmfit/*.c)
+find_library(LMFIT_LIBRARIES lmfit)
-set(LIBGROMACS_SOURCES ${LIBGROMACS_SOURCES} ${GMXCORRFUNC_SOURCES} ${LMFIT_SOURCES} PARENT_SCOPE)
+set(LIBGROMACS_SOURCES ${LIBGROMACS_SOURCES} ${GMXCORRFUNC_SOURCES} PARENT_SCOPE)
if (BUILD_TESTING)
add_subdirectory(tests)
endif()
diff -up gromacs-a7093a73959458a1f4aa4e384104a5515a4f2863/src/gromacs/correlationfunctions/expfit.cpp.lmfit gromacs-a7093a73959458a1f4aa4e384104a5515a4f2863/src/gromacs/correlationfunctions/expfit.cpp
--- gromacs-a7093a73959458a1f4aa4e384104a5515a4f2863/src/gromacs/correlationfunctions/expfit.cpp.lmfit 2016-02-23 22:23:54.000000000 +0100
+++ gromacs-a7093a73959458a1f4aa4e384104a5515a4f2863/src/gromacs/correlationfunctions/expfit.cpp 2016-02-24 11:34:14.894582306 +0100
@@ -52,7 +52,7 @@
#include <algorithm>
-#include "external/lmfit/lmcurve.h"
+#include <lmcurve_tyd.h>
#include "gromacs/correlationfunctions/integrate.h"
#include "gromacs/fileio/xvgr.h"
@@ -483,7 +483,7 @@ static gmx_bool lmfit_exp(int n
do
{
ochisq = chisq;
- lmcurve(nparam, parm, nfit, x, y, dy,
+ lmcurve_tyd(nparam, parm, nfit, x, y, dy,
lmcurves[eFitFn], &control, status);
chisq = gmx::square(status->fnorm);
if (bVerbose)