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Wed, 14 Oct 2020 10:43:54 +0000 (UTC) Received: from localhost.localdomain (localhost [IPv6:::1]) by oystercatcher.gentoo.org (Postfix) with ESMTP id D5F28395 for ; Wed, 14 Oct 2020 10:43:52 +0000 (UTC) From: "Alexey Shvetsov" To: gentoo-commits@lists.gentoo.org Content-Transfer-Encoding: 8bit Content-type: text/plain; charset=UTF-8 Reply-To: gentoo-dev@lists.gentoo.org, "Alexey Shvetsov" Message-ID: <1602671646.d0a99f29dfb2716920ca9f747655d8d23209361a.alexxy@gentoo> Subject: [gentoo-commits] repo/gentoo:master commit in: sci-chemistry/gromacs/ X-VCS-Repository: repo/gentoo X-VCS-Files: sci-chemistry/gromacs/gromacs-2020.1-r1.ebuild sci-chemistry/gromacs/gromacs-2020.2.ebuild sci-chemistry/gromacs/gromacs-2020.3.ebuild sci-chemistry/gromacs/gromacs-2020.4.ebuild sci-chemistry/gromacs/gromacs-2020.9999.ebuild sci-chemistry/gromacs/gromacs-9999.ebuild X-VCS-Directories: sci-chemistry/gromacs/ X-VCS-Committer: alexxy X-VCS-Committer-Name: Alexey Shvetsov X-VCS-Revision: d0a99f29dfb2716920ca9f747655d8d23209361a X-VCS-Branch: master Date: Wed, 14 Oct 2020 10:43:52 +0000 (UTC) Precedence: bulk List-Post: List-Help: List-Unsubscribe: List-Subscribe: List-Id: Gentoo Linux mail X-BeenThere: gentoo-commits@lists.gentoo.org X-Auto-Response-Suppress: DR, RN, NRN, OOF, AutoReply X-Archives-Salt: 03fdada2-b061-448c-a3bb-2c8e7a942fef X-Archives-Hash: 97fe73f8793d1d86d6dab8d08c28e042 commit: d0a99f29dfb2716920ca9f747655d8d23209361a Author: Alexey Shvetsov gentoo org> AuthorDate: Wed Oct 14 10:34:06 2020 +0000 Commit: Alexey Shvetsov gentoo org> CommitDate: Wed Oct 14 10:34:06 2020 +0000 URL: https://gitweb.gentoo.org/repo/gentoo.git/commit/?id=d0a99f29 sci-chemistry/gromacs: added py39 Package-Manager: Portage-3.0.8, Repoman-3.0.1 Signed-off-by: Alexey Shvetsov gentoo.org> sci-chemistry/gromacs/gromacs-2020.1-r1.ebuild | 2 +- sci-chemistry/gromacs/gromacs-2020.2.ebuild | 2 +- sci-chemistry/gromacs/gromacs-2020.3.ebuild | 2 +- sci-chemistry/gromacs/gromacs-2020.4.ebuild | 2 +- sci-chemistry/gromacs/gromacs-2020.9999.ebuild | 26 +++++++++++++++----------- sci-chemistry/gromacs/gromacs-9999.ebuild | 2 +- 6 files changed, 20 insertions(+), 16 deletions(-) diff --git a/sci-chemistry/gromacs/gromacs-2020.1-r1.ebuild b/sci-chemistry/gromacs/gromacs-2020.1-r1.ebuild index ba456196edd..93c02c87848 100644 --- a/sci-chemistry/gromacs/gromacs-2020.1-r1.ebuild +++ b/sci-chemistry/gromacs/gromacs-2020.1-r1.ebuild @@ -5,7 +5,7 @@ EAPI=7 CMAKE_MAKEFILE_GENERATOR="ninja" -PYTHON_COMPAT=( python3_{6,7,8} ) +PYTHON_COMPAT=( python3_{6,7,8,9} ) DISTUTILS_SINGLE_IMPL=1 diff --git a/sci-chemistry/gromacs/gromacs-2020.2.ebuild b/sci-chemistry/gromacs/gromacs-2020.2.ebuild index ba456196edd..93c02c87848 100644 --- a/sci-chemistry/gromacs/gromacs-2020.2.ebuild +++ b/sci-chemistry/gromacs/gromacs-2020.2.ebuild @@ -5,7 +5,7 @@ EAPI=7 CMAKE_MAKEFILE_GENERATOR="ninja" -PYTHON_COMPAT=( python3_{6,7,8} ) +PYTHON_COMPAT=( python3_{6,7,8,9} ) DISTUTILS_SINGLE_IMPL=1 diff --git a/sci-chemistry/gromacs/gromacs-2020.3.ebuild b/sci-chemistry/gromacs/gromacs-2020.3.ebuild index ba456196edd..93c02c87848 100644 --- a/sci-chemistry/gromacs/gromacs-2020.3.ebuild +++ b/sci-chemistry/gromacs/gromacs-2020.3.ebuild @@ -5,7 +5,7 @@ EAPI=7 CMAKE_MAKEFILE_GENERATOR="ninja" -PYTHON_COMPAT=( python3_{6,7,8} ) +PYTHON_COMPAT=( python3_{6,7,8,9} ) DISTUTILS_SINGLE_IMPL=1 diff --git a/sci-chemistry/gromacs/gromacs-2020.4.ebuild b/sci-chemistry/gromacs/gromacs-2020.4.ebuild index ba456196edd..93c02c87848 100644 --- a/sci-chemistry/gromacs/gromacs-2020.4.ebuild +++ b/sci-chemistry/gromacs/gromacs-2020.4.ebuild @@ -5,7 +5,7 @@ EAPI=7 CMAKE_MAKEFILE_GENERATOR="ninja" -PYTHON_COMPAT=( python3_{6,7,8} ) +PYTHON_COMPAT=( python3_{6,7,8,9} ) DISTUTILS_SINGLE_IMPL=1 diff --git a/sci-chemistry/gromacs/gromacs-2020.9999.ebuild b/sci-chemistry/gromacs/gromacs-2020.9999.ebuild index 92600477ee9..93c02c87848 100644 --- a/sci-chemistry/gromacs/gromacs-2020.9999.ebuild +++ b/sci-chemistry/gromacs/gromacs-2020.9999.ebuild @@ -5,11 +5,11 @@ EAPI=7 CMAKE_MAKEFILE_GENERATOR="ninja" -PYTHON_COMPAT=( python3_{6,7} ) +PYTHON_COMPAT=( python3_{6,7,8,9} ) DISTUTILS_SINGLE_IMPL=1 -inherit bash-completion-r1 cmake cuda distutils-r1 eutils multilib readme.gentoo-r1 toolchain-funcs xdg-utils +inherit bash-completion-r1 cmake cuda distutils-r1 eutils flag-o-matic multilib readme.gentoo-r1 toolchain-funcs xdg-utils if [[ $PV = *9999* ]]; then EGIT_REPO_URI="git://git.gromacs.org/gromacs.git @@ -34,7 +34,7 @@ HOMEPAGE="http://www.gromacs.org/" # base, vmd plugins, fftpack from numpy, blas/lapck from netlib, memtestG80 library, mpi_thread lib LICENSE="LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )" SLOT="0/${PV}" -IUSE="X blas cuda +doc -double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}" +IUSE="X blas cuda +custom-cflags +doc -double-precision +fftw +gmxapi +gmxapi-legacy +hwloc lapack +lmfit mkl mpi +offensive opencl openmp +python +single-precision test +threads +tng ${ACCE_IUSE}" CDEPEND=" X? ( @@ -159,13 +159,17 @@ src_prepare() { src_configure() { local mycmakeargs_pre=( ) extra fft_opts=( ) - #go from slowest to fastest acceleration - local acce="None" - use cpu_flags_x86_sse2 && acce="SSE2" - use cpu_flags_x86_sse4_1 && acce="SSE4.1" - use cpu_flags_x86_fma4 && acce="AVX_128_FMA" - use cpu_flags_x86_avx && acce="AVX_256" - use cpu_flags_x86_avx2 && acce="AVX2_256" + if use custom-cflags; then + #go from slowest to fastest acceleration + local acce="None" + use cpu_flags_x86_sse2 && acce="SSE2" + use cpu_flags_x86_sse4_1 && acce="SSE4.1" + use cpu_flags_x86_fma4 && acce="AVX_128_FMA" + use cpu_flags_x86_avx && acce="AVX_256" + use cpu_flags_x86_avx2 && acce="AVX2_256" + else + strip-flags + fi #to create man pages, build tree binaries are executed (bug #398437) [[ ${CHOST} = *-darwin* ]] && \ @@ -320,7 +324,7 @@ src_install() { for x in "${ED}"/usr/bin/gmx-completion-*.bash ; do local n=${x##*/gmx-completion-} n="${n%.bash}" - cat "${ED}"/usr/bin/gmx-completion-gmx.bash "$x" > "${T}/${n}" || die + cat "${ED}"/usr/bin/gmx-completion.bash "$x" > "${T}/${n}" || die newbashcomp "${T}"/"${n}" "${n}" done rm "${ED}"/usr/bin/gmx-completion*.bash || die diff --git a/sci-chemistry/gromacs/gromacs-9999.ebuild b/sci-chemistry/gromacs/gromacs-9999.ebuild index 203a0f716f5..808f5df33db 100644 --- a/sci-chemistry/gromacs/gromacs-9999.ebuild +++ b/sci-chemistry/gromacs/gromacs-9999.ebuild @@ -5,7 +5,7 @@ EAPI=7 CMAKE_MAKEFILE_GENERATOR="ninja" -PYTHON_COMPAT=( python3_{6,7} ) +PYTHON_COMPAT=( python3_{6,7,8,9} ) DISTUTILS_SINGLE_IMPL=1