[gentoo-commits] repo/gentoo:master commit in: sci-chemistry/gromacs/

[Christoph Junghans]

commit:     40003409ab4ef64801ed5422f8f3c23fb0029ffd
Author:     Christoph Junghans <ottxor <AT> gentoo <DOT> org>
AuthorDate: Sat Sep  3 19:21:22 2016 +0000
Commit:     Christoph Junghans <ottxor <AT> gentoo <DOT> org>
CommitDate: Sat Sep  3 19:21:45 2016 +0000
URL:        https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=40003409

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

Package-Manager: portage-2.2.28

 sci-chemistry/gromacs/gromacs-2016.9999.ebuild | 8 +++++++-
 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 c4a1a0a..e5f17d7 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 c93c507..9987af8 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