diff options
Diffstat (limited to 'sci-chemistry/gromacs')
| -rw-r--r-- | sci-chemistry/gromacs/gromacs-2016.9999.ebuild | 8 | ||||
| -rw-r--r-- | sci-chemistry/gromacs/gromacs-2016.ebuild | 8 |
2 files changed, 14 insertions, 2 deletions
diff --git a/sci-chemistry/gromacs/gromacs-2016.9999.ebuild b/sci-chemistry/gromacs/gromacs-2016.9999.ebuild index c4a1a0abc6ed..e5f17d70fca9 100644 --- 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/*${bits/lib}/libmkl_rt.so)" + ) else fft_opts=( -DGMX_FFT_LIBRARY=fftpack ) fi diff --git a/sci-chemistry/gromacs/gromacs-2016.ebuild b/sci-chemistry/gromacs/gromacs-2016.ebuild index c93c50724cc6..9987af8e4ba4 100644 --- a/sci-chemistry/gromacs/gromacs-2016.ebuild +++ b/sci-chemistry/gromacs/gromacs-2016.ebuild @@ -135,12 +135,18 @@ src_configure() { -DMKL_INCLUDE_DIR="${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 |