diff options
Diffstat (limited to 'sci-chemistry/gromacs/gromacs-2022.4.ebuild')
| -rw-r--r-- | sci-chemistry/gromacs/gromacs-2022.4.ebuild | 12 |
1 files changed, 4 insertions, 8 deletions
diff --git a/sci-chemistry/gromacs/gromacs-2022.4.ebuild b/sci-chemistry/gromacs/gromacs-2022.4.ebuild index 8719a5c86554..d0f55aca4bc1 100644 --- a/sci-chemistry/gromacs/gromacs-2022.4.ebuild +++ b/sci-chemistry/gromacs/gromacs-2022.4.ebuild @@ -22,9 +22,9 @@ if [[ ${PV} = *9999* ]]; then inherit git-r3 else SRC_URI=" - http://ftp.gromacs.org/gromacs/${P}.tar.gz + https://ftp.gromacs.org/gromacs/${P}.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-${PV}.pdf ) - test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV}.tar.gz )" + test? ( https://ftp.gromacs.org/regressiontests/regressiontests-${PV}.tar.gz )" # since 2022 arm support was dropped (but not arm64) KEYWORDS="~amd64 -arm ~arm64 ~x86 ~amd64-linux ~x86-linux ~x64-macos" fi @@ -32,7 +32,7 @@ fi ACCE_IUSE="cpu_flags_x86_sse2 cpu_flags_x86_sse4_1 cpu_flags_x86_fma4 cpu_flags_x86_avx cpu_flags_x86_avx2 cpu_flags_x86_avx512f cpu_flags_arm_neon" 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 @@ -75,6 +75,7 @@ REQUIRED_USE=" || ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) + opencl? ( single-precision ) cuda? ( !opencl ) clang-cuda? ( clang cuda ) mkl? ( !blas !fftw !lapack ) @@ -200,11 +201,6 @@ 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 |