sci-chemistry/gromacs: fix build with mkl (bug #592786)

Package-Manager: portage-2.2.28

diff --git a/sci-chemistry/gromacs/gromacs-2016.9999.ebuild b/sci-chemistry/gromacs/gromacs-2016.9999.ebuild
index c4a1a0abc6ed557749f90e0977e89ebbcbad2107..e5f17d70fca912b29c69bb7952efda8ac2c59548 100644 (file)
--- a/sci-chemistry/gromacs/gromacs-2016.9999.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2016.9999.ebuild
@@ -137,12 +137,18 @@ src_configure() {
                        -DMKL_INCLUDE_DIR="${MKLROOT}/include"
                        -DMKL_LIBRARIES="$(echo /opt/intel/mkl/10.0.5.025/lib/*/libmkl.so);$(echo /opt/intel/mkl/10.0.5.025/lib/*/libiomp*.so)"
                )
-       elif use mkl; then
+       elif use mkl && has_version "<sci-libs/mkl-11.3"; then
                local bits=$(get_libdir)
                fft_opts=( -DGMX_FFT_LIBRARY=mkl
                        -DMKL_INCLUDE_DIR="$(echo /opt/intel/*/mkl/include)"
                        -DMKL_LIBRARIES="$(echo /opt/intel/*/mkl/lib/*${bits/lib}/libmkl_rt.so)"
                )
+       elif use mkl; then
+               local bits=$(get_libdir)
+               fft_opts=( -DGMX_FFT_LIBRARY=mkl
+                       -DMKL_INCLUDE_DIR="$(echo /opt/intel/*/linux/mkl/include)"
+                       -DMKL_LIBRARIES="$(echo /opt/intel/*/linux/mkl/lib/*${bits/lib}/libmkl_rt.so)"
+               )
        else
                fft_opts=( -DGMX_FFT_LIBRARY=fftpack )
        fi

diff --git a/sci-chemistry/gromacs/gromacs-2016.ebuild b/sci-chemistry/gromacs/gromacs-2016.ebuild
index c93c50724cc69fd90218b848cd138c4dd7549315..9987af8e4ba45e83f22a3d1487ccafea3e06ee8f 100644 (file)
--- a/sci-chemistry/gromacs/gromacs-2016.ebuild
+++ b/sci-chemistry/gromacs/gromacs-2016.ebuild
@@ -135,12 +135,18 @@ src_configure() {
                        -DMKL_INCLUDE_DIR="${MKLROOT}/include"
                        -DMKL_LIBRARIES="$(echo /opt/intel/mkl/10.0.5.025/lib/*/libmkl.so);$(echo /opt/intel/mkl/10.0.5.025/lib/*/libiomp*.so)"
                )
-       elif use mkl; then
+       elif use mkl && has_version "<sci-libs/mkl-11.3"; then
                local bits=$(get_libdir)
                fft_opts=( -DGMX_FFT_LIBRARY=mkl
                        -DMKL_INCLUDE_DIR="$(echo /opt/intel/*/mkl/include)"
                        -DMKL_LIBRARIES="$(echo /opt/intel/*/mkl/lib/*${bits/lib}/libmkl_rt.so)"
                )
+       elif use mkl; then
+               local bits=$(get_libdir)
+               fft_opts=( -DGMX_FFT_LIBRARY=mkl
+                       -DMKL_INCLUDE_DIR="$(echo /opt/intel/*/linux/mkl/include)"
+                       -DMKL_LIBRARIES="$(echo /opt/intel/*/linux/mkl/lib/*${bits/lib}/libmkl_rt.so)"
+               )
        else
                fft_opts=( -DGMX_FFT_LIBRARY=fftpack )
        fi