diff options
Diffstat (limited to 'sci-chemistry/gromacs/gromacs-2019.6-r1.ebuild')
| -rw-r--r-- | sci-chemistry/gromacs/gromacs-2019.6-r1.ebuild | 14 |
1 files changed, 5 insertions, 9 deletions
diff --git a/sci-chemistry/gromacs/gromacs-2019.6-r1.ebuild b/sci-chemistry/gromacs/gromacs-2019.6-r1.ebuild index b04308aaa907..bf9f493d1163 100644 --- a/sci-chemistry/gromacs/gromacs-2019.6-r1.ebuild +++ b/sci-chemistry/gromacs/gromacs-2019.6-r1.ebuild @@ -8,15 +8,15 @@ CMAKE_MAKEFILE_GENERATOR="ninja" inherit bash-completion-r1 cmake cuda readme.gentoo-r1 toolchain-funcs xdg-utils SRC_URI=" - http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz - doc? ( http://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf ) - test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )" + https://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz + doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf ) + test? ( https://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )" KEYWORDS="amd64 arm x86 ~amd64-linux ~x86-linux ~x64-macos" ACCE_IUSE="cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2" DESCRIPTION="The ultimate molecular dynamics simulation package" -HOMEPAGE="http://www.gromacs.org/" +HOMEPAGE="https://www.gromacs.org/" # see COPYING for details # https://repo.or.cz/w/gromacs.git/blob/HEAD:/COPYING @@ -50,6 +50,7 @@ RDEPEND="${CDEPEND}" REQUIRED_USE=" || ( single-precision double-precision ) cuda? ( single-precision ) + opencl? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ${PYTHON_REQUIRED_USE}" @@ -109,11 +110,6 @@ src_configure() { if use fftw; then fft_opts=( -DGMX_FFT_LIBRARY=fftw3 ) - elif use mkl && has_version "=sci-libs/mkl-10*"; then - fft_opts=( -DGMX_FFT_LIBRARY=mkl - -DMKL_INCLUDE_DIR="${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 |