diff options
| author | V3n3RiX <venerix@koprulu.sector> | 2022-12-21 01:52:56 +0000 |
|---|---|---|
| committer | V3n3RiX <venerix@koprulu.sector> | 2022-12-21 01:52:56 +0000 |
| commit | b46782805d0eed36ce9685f7e9abf25671f24d7d (patch) | |
| tree | 4b7992f7355b710c35a7c4bfff9b57eb64e4c8b5 /sci-chemistry/gromacs/gromacs-2021.9999.ebuild | |
| parent | d4d7098dcb2f9dd257109bbcb55fd40beda1b78d (diff) | |
gentoo auto-resync : 21:12:2022 - 01:52:55
Diffstat (limited to 'sci-chemistry/gromacs/gromacs-2021.9999.ebuild')
| -rw-r--r-- | sci-chemistry/gromacs/gromacs-2021.9999.ebuild | 12 |
1 files changed, 4 insertions, 8 deletions
diff --git a/sci-chemistry/gromacs/gromacs-2021.9999.ebuild b/sci-chemistry/gromacs/gromacs-2021.9999.ebuild index 44a39087816b..31f880174588 100644 --- a/sci-chemistry/gromacs/gromacs-2021.9999.ebuild +++ b/sci-chemistry/gromacs/gromacs-2021.9999.ebuild @@ -22,16 +22,16 @@ if [[ ${PV} = *9999* ]]; then inherit git-r3 else SRC_URI=" - http://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz + https://ftp.gromacs.org/gromacs/${PN}-${PV/_/-}.tar.gz doc? ( https://ftp.gromacs.org/manual/manual-${PV/_/-}.pdf ) - test? ( http://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )" + test? ( https://ftp.gromacs.org/regressiontests/regressiontests-${PV/_/-}.tar.gz )" KEYWORDS="~amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~x64-macos" 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 @@ -76,6 +76,7 @@ REQUIRED_USE=" || ( single-precision double-precision ) doc? ( !build-manual ) cuda? ( single-precision ) + opencl? ( single-precision ) cuda? ( !opencl ) mkl? ( !blas !fftw !lapack ) ${PYTHON_REQUIRED_USE}" @@ -187,11 +188,6 @@ src_configure() { if use fftw; then fft_opts=( -DGMX_FFT_LIBRARY=fftw3 ) - elif use mkl && has_version "=sci-libs/mkl-10*"; then - fft_opts=( -DGMX_FFT_LIBRARY=mkl - -DMKL_INCLUDE_DIR="${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 |