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| author |   Christoph Junghans <ottxor@gentoo.org> | 2012-12-29 23:00:35 +0000 |
|---|---|---|
| committer | Christoph Junghans <ottxor@gentoo.org> | 2012-12-29 23:00:35 +0000 |
| commit | 4bb7cd10c7e5e9d948e10a10a5667268603d082a (patch) | |
| tree | 4d4ad3376c6fa72578f3ee0d99af9b0e4418122a /sci-chemistry/gromacs | |
| parent | Remove older version, bug #440018 (diff) | |
| download | gentoo-2-4bb7cd10c7e5e9d948e10a10a5667268603d082a.tar.gz gentoo-2-4bb7cd10c7e5e9d948e10a10a5667268603d082a.tar.bz2 gentoo-2-4bb7cd10c7e5e9d948e10a10a5667268603d082a.zip | |
fixed build with mkl-11*
(Portage version: 2.2.0_alpha149/cvs/Linux x86_64, signed Manifest commit with key C2000586)
Diffstat (limited to 'sci-chemistry/gromacs')
| -rw-r--r-- | sci-chemistry/gromacs/ChangeLog | 6 | ||||
| -rw-r--r-- | sci-chemistry/gromacs/gromacs-4.6_beta3-r1.ebuild | 17 |
2 files changed, 14 insertions, 9 deletions
diff --git a/sci-chemistry/gromacs/ChangeLog b/sci-chemistry/gromacs/ChangeLog index 66978318d7f7..a564a3dd430d 100644 --- a/sci-chemistry/gromacs/ChangeLog +++ b/sci-chemistry/gromacs/ChangeLog @@ -1,6 +1,10 @@ # ChangeLog for sci-chemistry/gromacs # Copyright 1999-2012 Gentoo Foundation; Distributed under the GPL v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gromacs/ChangeLog,v 1.115 2012/12/26 22:57:12 ottxor Exp $ +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gromacs/ChangeLog,v 1.116 2012/12/29 23:00:35 ottxor Exp $ + + 29 Dec 2012; Christoph Junghans <ottxor@gentoo.org> + gromacs-4.6_beta3-r1.ebuild: + fixed build with mkl-11* *gromacs-4.6_beta3-r1 (26 Dec 2012) diff --git a/sci-chemistry/gromacs/gromacs-4.6_beta3-r1.ebuild b/sci-chemistry/gromacs/gromacs-4.6_beta3-r1.ebuild index cae588c690b1..5133aa045037 100644 --- a/sci-chemistry/gromacs/gromacs-4.6_beta3-r1.ebuild +++ b/sci-chemistry/gromacs/gromacs-4.6_beta3-r1.ebuild @@ -1,15 +1,12 @@ # Copyright 1999-2012 Gentoo Foundation # Distributed under the terms of the GNU General Public License v2 -# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gromacs/gromacs-4.6_beta3-r1.ebuild,v 1.1 2012/12/26 22:57:12 ottxor Exp $ +# $Header: /var/cvsroot/gentoo-x86/sci-chemistry/gromacs/gromacs-4.6_beta3-r1.ebuild,v 1.2 2012/12/29 23:00:35 ottxor Exp $ EAPI=5 TEST_PV="4.0.4" MANUAL_PV="4.6-beta1" -#to find external blas/lapack -CMAKE_MIN_VERSION="2.8.5-r2" - CMAKE_MAKEFILE_GENERATOR="ninja" inherit bash-completion-r1 cmake-utils eutils multilib toolchain-funcs @@ -64,6 +61,7 @@ RDEPEND="${CDEPEND}" RESTRICT="test" REQUIRED_USE=" + || ( single-precision double-precision ) cuda? ( single-precision ) openmm? ( single-precision ) mkl? ( !blas !fftw !lapack )" @@ -84,9 +82,6 @@ src_prepare() { GMX_DIRS="" use single-precision && GMX_DIRS+=" float" use double-precision && GMX_DIRS+=" double" - #if neither single-precision nor double-precision is enabled - #build at least default (single) - [[ -z $GMX_DIRS ]] && GMX_DIRS+=" float" for x in ${GMX_DIRS}; do mkdir -p "${WORKDIR}/${P}_${x}" || die @@ -110,11 +105,17 @@ src_configure() { if use fftw; then fft_opts=( -DGMX_FFT_LIBRARY=fftw3 ) - elif use mkl; then + elif use mkl && has_version "=sci-libs/mkl-10*"; then fft_opts=( -DGMX_FFT_LIBRARY=mkl -DMKL_INCLUDE_DIR="${MKLROOT}/include" -DMKL_LIBRARIES="$(echo /opt/intel/mkl/10.0.5.025/lib/*/libmkl.so);$(echo /opt/intel/mkl/10.0.5.025/lib/*/libiomp*.so)" ) + elif use mkl; then + local bits=$(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)" + ) else fft_opts=( -DGMX_FFT_LIBRARY=fftpack ) fi |