# NOTE: when releasing the "-dev" suffix needs to be stripped off!
# REGRESSIONTEST_VERSION and REGRESSIONTEST_BRANCH should always be
# defined.
-set(PROJECT_VERSION "5.0.6-dev")
+set(PROJECT_VERSION "5.0.6")
# If this is a released tarball, "-dev" will not be present in
# PROJECT_VERSION, and REGRESSIONTEST_VERSION specifies the version
# number of the regressiontest tarball against which the code tarball
# can be tested. This will be the version of the last patch release.
-set(REGRESSIONTEST_VERSION "5.0.6-dev")
+set(REGRESSIONTEST_VERSION "5.0.6")
# The MD5 checksum of the regressiontest tarball. Only used if "-dev"
# is not present in the PROJECT_VERSION
-set(REGRESSIONTEST_MD5SUM "c3258e8c3162ce851718d1649e33e565")
+set(REGRESSIONTEST_MD5SUM "0f3b41e7a0fbb43efd6793d2b2fedacc")
# If this is not a released tarball, "-dev" will be present in
# PROJECT_VERSION, and REGRESSIONTEST_BRANCH specifies the name of the
# gerrit.gromacs.org branch whose HEAD can test this code, *if* this
if(CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT AND UNIX)
set(CMAKE_INSTALL_PREFIX "/usr/local/gromacs" CACHE STRING "Installation prefix (installation will need write permissions here)" FORCE)
endif()
+if("${CMAKE_INSTALL_PREFIX}" STREQUAL "${CMAKE_BINARY_DIR}")
+ message(FATAL_ERROR "GROMACS cannot be installed into the build tree, choose a different location for CMAKE_INSTALL_PREFIX")
+endif()
include(gmxBuildTypeReference)
include(gmxBuildTypeTSAN)
"${GMX_SUGGESTED_SIMD}"
None SSE2 SSE4.1 AVX_128_FMA AVX_256 AVX2_256 IBM_QPX Sparc64_HPC_ACE Reference)
+if(GMX_TARGET_MIC)
+ set(GMX_FFT_LIBRARY_DEFAULT "mkl")
+else()
+ set(GMX_FFT_LIBRARY_DEFAULT "fftw3")
+endif()
+
gmx_option_multichoice(
GMX_FFT_LIBRARY
"FFT library"
- "fftw3"
+ "${GMX_FFT_LIBRARY_DEFAULT}"
fftw3 mkl "fftpack[built-in]")
gmx_dependent_option(
GMX_BUILD_OWN_FFTW