commit: d0a99f29dfb2716920ca9f747655d8d23209361a
Author: Alexey Shvetsov <alexxy <AT> gentoo <DOT> org>
AuthorDate: Wed Oct 14 10:34:06 2020 +0000
Commit: Alexey Shvetsov <alexxy <AT> gentoo <DOT> 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 <alexxy <AT> 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
