sci-chemistry / gromacs

The ultimate molecular dynamics simulation package

Official package sites : http://www.gromacs.org/ ·

v9999 :: 0/9999 :: gentoo

Modified
License
LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
USE flags
X blas build-manual cuda custom-cflags doc double-precision fftw gmxapi gmxapi-legacy hwloc lapack lmfit mkl mpi offensive opencl openmp python single-precision test threads tng

v2021.9999 :: 0/2021.9999 :: gentoo

Modified
License
LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
USE flags
X blas build-manual cuda custom-cflags doc double-precision fftw gmxapi gmxapi-legacy hwloc lapack lmfit mkl mpi offensive opencl openmp python single-precision test threads tng

v2021.3-r1 :: 0/2021.3 :: gentoo

Modified
License
LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
Keywords
amd64 arm ~amd64-linux ~x64-macos ~x86 ~x86-linux
USE flags
X blas build-manual cuda custom-cflags doc double-precision fftw gmxapi gmxapi-legacy hwloc lapack lmfit mkl mpi offensive opencl openmp python single-precision test threads tng

v2021.2-r1 :: 0/2021.2 :: gentoo

Modified
License
LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
Keywords
~amd64 ~amd64-linux ~arm ~x64-macos ~x86 ~x86-linux
USE flags
X blas build-manual cuda custom-cflags doc double-precision fftw gmxapi gmxapi-legacy hwloc lapack lmfit mkl mpi offensive opencl openmp python single-precision test threads tng

v2020.6-r1 :: 0/2020.6 :: gentoo

Modified
License
LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
Keywords
~amd64 ~amd64-linux ~arm ~x64-macos ~x86 ~x86-linux
USE flags
X blas build-manual cuda custom-cflags doc double-precision fftw gmxapi gmxapi-legacy hwloc lapack lmfit mkl mpi offensive opencl openmp python single-precision test threads tng

v2020.4-r1 :: 0/2020.4 :: gentoo

Modified
License
LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
Keywords
amd64 arm x86 ~amd64-linux ~x64-macos ~x86-linux
USE flags
X blas build-manual cuda custom-cflags doc double-precision fftw gmxapi gmxapi-legacy hwloc lapack lmfit mkl mpi offensive opencl openmp python single-precision test threads tng

v2019.6-r1 :: 0/2019.6 :: gentoo

Modified
License
LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
Keywords
amd64 arm x86 ~amd64-linux ~x64-macos ~x86-linux
USE flags
X blas cuda doc double-precision fftw gmxapi hwloc lapack lmfit mkl mpi offensive opencl openmp single-precision test threads tng

v2018.8-r1 :: 0/2018.8 :: gentoo

Modified
License
LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
Keywords
amd64 arm x86 ~amd64-linux ~x64-macos ~x86-linux
USE flags
X blas cuda doc double-precision fftw hwloc lapack mkl mpi offensive opencl openmp single-precision test threads tng

General

X
Add support for X11
blas
Add support for the virtual/blas numerical library
build-manual
Build manual instead of downloading it
cuda
Enable cuda non-bonded kernels
custom-cflags
Build with user-specified CFLAGS (unsupported)
doc
Add extra documentation (API, Javadoc, etc). It is recommended to enable per package instead of globally
double-precision
More precise calculations at the expense of speed
fftw
Use FFTW library for computing Fourier transforms
gmxapi
Add support for gmxapi library
gmxapi-legacy
Enable installing lagacy headers
hwloc
Enable HWLoc lib support
lapack
Add support for the virtual/lapack numerical library
lmfit
Use external sci-libs/lmfit
mkl
Use sci-libs/mkl for fft, blas, lapack routines
mpi
Add MPI (Message Passing Interface) layer to the apps that support it
offensive
Enable gromacs partly offensive quotes
opencl
Enable opencl non-bonded kernels
openmp
Build support for the OpenMP (support parallel computing), requires >=sys-devel/gcc-4.2 built with USE="openmp"
python
Add optional support/bindings for the Python language
single-precision
Single precision version of gromacs (default)
test
Enable dependencies and/or preparations necessary to run tests (usually controlled by FEATURES=test but can be toggled independently)
threads
Add threads support for various packages. Usually pthreads
tng
Enable new trajectory format - tng

cpu_flags_arm

neon
Use the NEON (ASIMD) instruction set

cpu_flags_x86

avx
Adds support for Advanced Vector Extensions instructions
avx2
Adds support for Advanced Vector Extensions 2 instructions
avx512f
Adds support for AVX-512 Foundation instructions
fma4
Use the Fused Multiply Add 4 instruction set
sse2
Use the SSE2 instruction set
sse4_1
Enable SSE4.1 instruction support

python_single_target

python3_8
Build for Python 3.8 only
python3_9
Build for Python 3.9 only

dev-lang / python : An interpreted, interactive, object-oriented programming language

dev-lang / python-exec : Python script wrapper

dev-util / nvidia-cuda-toolkit : NVIDIA CUDA Toolkit (compiler and friends)

sci-libs / fftw : Fast C library for the Discrete Fourier Transform

sci-libs / lmfit : library for Levenberg-Marquardt least-squares minimization and curve fitting

sci-libs / mkl : Intel Math Kernel Library

sys-apps / hwloc : displays the hardware topology in convenient formats

virtual / blas : Virtual for FORTRAN 77 BLAS implementation

virtual / lapack : Virtual for Linear Algebra Package FORTRAN 77 (LAPACK) implementation

virtual / mpi : Virtual for Message Passing Interface (MPI) v2.0 implementation

virtual / opencl : Virtual for OpenCL API

x11-libs / libICE : X.Org Inter-Client Exchange library

x11-libs / libSM : X.Org Session Management library

x11-libs / libX11 : X.Org X11 library

sci-chemistry / vmd : Visual Molecular Dynamics

sci-chemistry / votca-csg : Votca coarse-graining engine

724468
sci-chemistry/gromacs-2019.5-r1: doesn't honor NVCCFLAGS
732592
sci-chemistry/gromacs: patch to fix gmx do_dssp with CHARMM FFs
755254
sci-chemistry/gromacs-2019.6: update citation note
807883
sci-chemistry/gromacs-2020.4 - * patch -p1 failed with /var/tmp/portage/sci-chemistry/gromacs-2020.4/files/gromacs-2020-pytest.pa
810892
sci-chemistry/gromacs-2021.2 - -- Could NOT find MPI_C (missing: MPI_C_WORKS)
814101
sci-chemistry/gromacs-2021.3 stabilization
818055
sci-chemistry/gromacs-2021.3: src/gromacs/hardware/identifyavx512fmaunits.cpp:180:5: error: the register ‘zmm11’ cannot be clobbered in ‘asm’ for the current target
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Sam James · gentoo
sci-chemistry/gromacs: revbump for subslot operator changes
Needed to have the changes apply. Also propagate the changes to the other ebuilds for consistency. Added to FFTW as well while at it. See: 7ad99109ba539795b0ca4ee887734b4930937679 Signed-off-by: Sam James <sam@gentoo.org>
Pacho Ramos · gentoo
sci-chemistry/gromacs: Needs to be rebuilt with lmfit soname changes
Also fix hwloc dep for old gromacs Package-Manager: Portage-3.0.28, Repoman-3.0.3 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
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Sam James · gentoo
sci-chemistry/gromacs: fix confusing indentation
Signed-off-by: Sam James <sam@gentoo.org>
Sam James · gentoo
sci-chemistry/gromacs: fix configure with -custom-cflags
Need to default to AUTO and let it be overridden as appropriate later. Bug: https://bugs.gentoo.org/818055 Signed-off-by: Sam James <sam@gentoo.org>
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Sam James · gentoo
sci-chemistry/gromacs: Stabilize 2021.3 arm, #814101
Signed-off-by: Sam James <sam@gentoo.org>
Sam James · gentoo
sci-chemistry/gromacs: Stabilize 2021.3 amd64, #814101
Signed-off-by: Sam James <sam@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Check patches
Package-Manager: Portage-3.0.23, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: version bump
Package-Manager: Portage-3.0.23, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
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Pacho Ramos · gentoo
sci-chemistry/gromacs: Needs to be rebuilt with hwloc
Package-Manager: Portage-3.0.22, Repoman-3.0.3 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
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David Seifert · gentoo
sci-chemistry/gromacs: PYTHON_MULTI_USEDEP -> PYTHON_USEDEP
Signed-off-by: David Seifert <soap@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Fix manual use
Closes: https://bugs.gentoo.org/796497 Package-Manager: Portage-3.0.20, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: drop old
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Allow to download manual instead of building it
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Pacho Ramos · gentoo
sci-chemistry/gromacs: Needs cuda_profiler_api.h to build
Otherwise it fails with: /var/tmp/portage/sci-chemistry/gromacs-2021.2/work/gromacs-2021.2/src/gromacs/ gpu_utils/gpu_utils.cu:50:10: fatal error: cuda_profiler_api.h: No such file or directory 50 | #include <cuda_profiler_api.h> | ^~~~~~~~~~~~~~~~~~~~~ compilation terminated. CMake Error at libgromacs_generated_gpu_utils.cu.o.Gentoo.cmake:222 (message): Error generating /var/tmp/portage/sci-chemistry/gromacs-2021.2/work/gromacs-2021.2_float/src/ gromacs/CMakeFiles/libgromacs.dir/gpu_utils/./libgromacs_generated_gpu_utils.cu.o Package-Manager: Portage-3.0.19, Repoman-3.0.3 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Fix pkgcheck error
Package-Manager: Portage-3.0.19, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump
Package-Manager: Portage-3.0.19, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
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Sam James · gentoo
sci-chemistry/gromacs: fix cmake_src_make -> cmake_src_compile
cmake_src_make was removed in cmake.eclass. Signed-off-by: Sam James <sam@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Update patches
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Sam James · gentoo
sci-chemistry/gromacs: eutils--
Signed-off-by: Sam James <sam@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: version bump to 2021.1
Package-Manager: Portage-3.0.18, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
Alexey Shvetsov · gentoo
sci-chemistry/gromacs: version bump to 2020.6
Package-Manager: Portage-3.0.18, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
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Sam James · gentoo
sci-chemistry/gromacs: fix variable references
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump to release
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Michał Górny · gentoo
*/*: Remove obsolete values from PYTHON_COMPAT
Signed-off-by: Michał Górny <mgorny@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump
Package-Manager: Portage-3.0.12, Repoman-3.0.2 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Drop old version
Package-Manager: Portage-3.0.12, Repoman-3.0.2 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
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Fabian Groffen · gentoo
sci-chemistry/gromacs: drop x86-macos
Package-Manager: Portage-3.0.12, Repoman-3.0.2 Signed-off-by: Fabian Groffen <grobian@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump
Package-Manager: Portage-3.0.11, Repoman-3.0.2 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
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Sam James · gentoo
sci-chemistry/gromacs: Stabilize 2019.6 ALLARCHES, #733574
Signed-off-by: Sam James <sam@gentoo.org>
Sam James · gentoo
sci-chemistry/gromacs: Stabilize 2020.4 ALLARCHES, #754084
Signed-off-by: Sam James <sam@gentoo.org>
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Thomas Deutschmann · gentoo
sci-chemistry/gromacs: x86 stable (bug #754084)
Package-Manager: Portage-3.0.9, Repoman-3.0.2 Signed-off-by: Thomas Deutschmann <whissi@gentoo.org>
Thomas Deutschmann · gentoo
sci-chemistry/gromacs: x86 stable (bug #733574)
Package-Manager: Portage-3.0.9, Repoman-3.0.2 Signed-off-by: Thomas Deutschmann <whissi@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: New 2021_beta2
Package-Manager: Portage-3.0.9, Repoman-3.0.2 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Remove old 2020.x releases
Package-Manager: Portage-3.0.9, Repoman-3.0.2 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Update URI's
http://gerrit.gromacs.org will be dropped upstream. Main repo is on gitlab now Package-Manager: Portage-3.0.9, Repoman-3.0.2 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: added py39
Package-Manager: Portage-3.0.8, Repoman-3.0.1 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Migrate cmake-utils -> cmake
Package-Manager: Portage-2.3.103, Repoman-2.3.23 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump
Package-Manager: Portage-2.3.103, Repoman-2.3.23 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
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Michael Mair-Keimberger · gentoo
sci-chemistry/gromacs: add missing flag-o-matic inherit
Package-Manager: Portage-2.3.100, Repoman-2.3.22 Signed-off-by: Michael Mair-Keimberger <m.mairkeimberger@gmail.com> Signed-off-by: Mike Gilbert <floppym@gentoo.org> Closes: https://github.com/gentoo/gentoo/pull/16189
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: drop 2019.9999 and 2018.9999
Package-Manager: Portage-2.3.99, Repoman-2.3.22 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Use mainstream manual
Closes: https://bugs.gentoo.org/717890 Package-Manager: Portage-2.3.99, Repoman-2.3.22 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump to 2020.2
Also added custom-cflags and fixed bash-completion Closes: https://bugs.gentoo.org/687920 Closes: https://bugs.gentoo.org/711572 Package-Manager: Portage-2.3.99, Repoman-2.3.22 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump
Package-Manager: Portage-2.3.88, Repoman-2.3.20 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
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Christoph Junghans · gentoo
sci-chemistry/gromacs: add v2019.6
Package-Manager: Portage-2.3.84, Repoman-2.3.20 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
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Michał Górny · gentoo
sci-chemistry/gromacs: Switch to PYTHON_MULTI_USEDEP API
Signed-off-by: Michał Górny <mgorny@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Drop old version
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Mikle Kolyada · gentoo
sci-chemistry/gromacs: arm stable wrt bug #703796
Package-Manager: Portage-2.3.84, Repoman-2.3.20 RepoMan-Options: --include-arches="arm" Signed-off-by: Mikle Kolyada <zlogene@gentoo.org>
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Agostino Sarubbo · gentoo
sci-chemistry/gromacs: amd64 stable wrt bug #703796
Package-Manager: Portage-2.3.79, Repoman-2.3.16 RepoMan-Options: --include-arches="amd64" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
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Michał Górny · gentoo
*/*: Clean PYTHON_COMPAT of obsolete impls
Closes: https://github.com/gentoo/gentoo/pull/14246 Signed-off-by: Michał Górny <mgorny@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Fix bashcomp install
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump
Package-Manager: Portage-2.3.83, Repoman-2.3.20 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Drop old versions
Package-Manager: Portage-2.3.83, Repoman-2.3.20 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
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Agostino Sarubbo · gentoo
sci-chemistry/gromacs: arm stable wrt bug #703794
Package-Manager: Portage-2.3.79, Repoman-2.3.16 RepoMan-Options: --include-arches="arm" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
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Agostino Sarubbo · gentoo
sci-chemistry/gromacs: x86 stable wrt bug #703796
Package-Manager: Portage-2.3.79, Repoman-2.3.16 RepoMan-Options: --include-arches="x86" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
Agostino Sarubbo · gentoo
sci-chemistry/gromacs: x86 stable wrt bug #703794
Package-Manager: Portage-2.3.79, Repoman-2.3.16 RepoMan-Options: --include-arches="x86" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
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Agostino Sarubbo · gentoo
sci-chemistry/gromacs: amd64 stable wrt bug #703794
Package-Manager: Portage-2.3.79, Repoman-2.3.16 RepoMan-Options: --include-arches="amd64" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Drop redundant versions
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: 2020_rc1
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump
This version supposed to be last one in 2019.x series Package-Manager: Portage-2.3.81, Repoman-2.3.20 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Beta1
Package-Manager: Portage-2.3.78, Repoman-2.3.17 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump for 2018.x series
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Fix some pkgchek warnings
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Thomas Deutschmann · gentoo
sci-chemistry/gromacs: add missing trailing slashes
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump
Package-Manager: Portage-2.3.76, Repoman-2.3.16 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Drop old
Package-Manager: Portage-2.3.76, Repoman-2.3.16 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
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Michał Górny · gentoo
sci-chemistry/gromacs: Add missing PYTHON_*
Signed-off-by: Michał Górny <mgorny@gentoo.org>
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Mikle Kolyada · gentoo
sci-chemistry/gromacs: arm stable wrt bug #687240
Package-Manager: Portage-2.3.66, Repoman-2.3.16 RepoMan-Options: --include-arches="arm" Signed-off-by: Mikle Kolyada <zlogene@gentoo.org>
Mikle Kolyada · gentoo
sci-chemistry/gromacs: arm stable wrt bug #687238
Package-Manager: Portage-2.3.66, Repoman-2.3.16 RepoMan-Options: --include-arches="arm" Signed-off-by: Mikle Kolyada <zlogene@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Add missing dep for docs
GROMACS need graphviz to build doc Closes: https://bugs.gentoo.org/688074 Package-Manager: Portage-2.3.68, Repoman-2.3.16 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump
Package-Manager: Portage-2.3.67, Repoman-2.3.14 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Drop 2016.x versions
Package-Manager: Portage-2.3.67, Repoman-2.3.14 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
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Mikle Kolyada · gentoo
sci-chemistry/gromacs: amd64 stable wrt bug #687240
Signed-off-by: Mikle Kolyada <zlogene@gentoo.org> Package-Manager: Portage-2.3.66, Repoman-2.3.11 RepoMan-Options: --include-arches="amd64"
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Agostino Sarubbo · gentoo
sci-chemistry/gromacs: x86 stable wrt bug #687238
Signed-off-by: Agostino Sarubbo <ago@gentoo.org> Package-Manager: Portage-2.3.66, Repoman-2.3.11 RepoMan-Options: --include-arches="x86"
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Agostino Sarubbo · gentoo
sci-chemistry/gromacs: amd64 stable wrt bug #687238
Signed-off-by: Agostino Sarubbo <ago@gentoo.org> Package-Manager: Portage-2.3.66, Repoman-2.3.11 RepoMan-Options: --include-arches="amd64"
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Thomas Deutschmann · gentoo
sci-chemistry/gromacs: x86 stable (bug #687240)
Package-Manager: Portage-2.3.67, Repoman-2.3.14 Signed-off-by: Thomas Deutschmann <whissi@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: http -> https for repo.or.cz
Closes: https://bugs.gentoo.org/682512 Package-Manager: Portage-2.3.67, Repoman-2.3.13 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Drop old
Package-Manager: Portage-2.3.67, Repoman-2.3.13 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump
Package-Manager: Portage-2.3.67, Repoman-2.3.13 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Clean up old versions
Package-Manager: Portage-2.3.66, Repoman-2.3.12 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: New release
Package-Manager: Portage-2.3.62, Repoman-2.3.12 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
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Christoph Junghans · gentoo
sci-chemistry/gromacs: added v2018.6
Package-Manager: Portage-2.3.51, Repoman-2.3.11 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump
Closes: https://bugs.gentoo.org/673350 Closes: https://bugs.gentoo.org/673340 Closes: https://bugs.gentoo.org/670846 Closes: https://bugs.gentoo.org/669460 Closes: https://bugs.gentoo.org/591952 Package-Manager: Portage-2.3.61, Repoman-2.3.12 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump
Package-Manager: Portage-2.3.57, Repoman-2.3.12 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
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Andreas Sturmlechner · gentoo
sci-chemistry/gromacs: Drop 2016.2
2016.5 is stable. Package-Manager: Portage-2.3.54, Repoman-2.3.12 Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org>
Andreas Sturmlechner · gentoo
sci-chemistry/gromacs: Drop 5.1.3 and 5.1.9999
Never updated to latest available point release in Gentoo, 5.1.3 is from 2016. Package-Manager: Portage-2.3.54, Repoman-2.3.12 Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org>
Andreas Sturmlechner · gentoo
sci-chemistry/gromacs: Drop 4.6.9999 and 5.0.{4,9999}
Declared unsupported upstream and never updated to latest point release in Gentoo. Closes: https://bugs.gentoo.org/674198 Package-Manager: Portage-2.3.54, Repoman-2.3.12 Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> Package-Manager: Portage-2.3.51, Repoman-2.3.11
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump
Package-Manager: Portage-2.3.52, Repoman-2.3.12 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
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Mikle Kolyada · gentoo
sci-chemistry/gromacs: arm stable wrt bug #669322
Signed-off-by: Mikle Kolyada <zlogene@gentoo.org> Package-Manager: Portage-2.3.51, Repoman-2.3.11
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump
Package-Manager: Portage-2.3.51, Repoman-2.3.12 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
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Andreas Sturmlechner · gentoo
sci-chemistry/gromacs: Drop duplicate KEYWORDS line
Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org> Package-Manager: Portage-2.3.51, Repoman-2.3.11
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Mikle Kolyada · gentoo
sci-chemistry/gromacs: amd64 stable wrt bug #669322
Signed-off-by: Mikle Kolyada <zlogene@gentoo.org> Package-Manager: Portage-2.3.49, Repoman-2.3.11
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Thomas Deutschmann · gentoo
sci-chemistry/gromacs: x86 stable (bug #669322)
Package-Manager: Portage-2.3.51, Repoman-2.3.11 Signed-off-by: Thomas Deutschmann <whissi@gentoo.org>
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Christoph Junghans · gentoo
sci-chemistry/gromacs: fix python dep
Package-Manager: Portage-2.3.49, Repoman-2.3.11 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: New beta version
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> Package-Manager: Portage-2.3.51, Repoman-2.3.11
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Drop ~alpha ~ppc64 and ~sparc
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> Package-Manager: Portage-2.3.49, Repoman-2.3.11
Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Fix deps. Drop unneded
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> Package-Manager: Portage-2.3.49, Repoman-2.3.11
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump
Package-Manager: Portage-2.3.47, Repoman-2.3.10
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Christoph Junghans · gentoo
sci-chemistry/gromacs: fix cmake options
Closes: https://bugs.gentoo.org/659154 Package-Manager: Portage-2.3.40, Repoman-2.3.9
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump
Package-Manager: Portage-2.3.40, Repoman-2.3.9
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Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Bump =)
Package-Manager: Portage-2.3.19, Repoman-2.3.6
Alexey Shvetsov · gentoo
sci-chemistry/gromacs: add new version
Package-Manager: Portage-2.3.19, Repoman-2.3.6
Christoph Junghans · gentoo
sci-chemistry/gromacs: version bump
Package-Manager: Portage-2.3.13, Repoman-2.3.3
Christoph Junghans · gentoo
sci-chemistry/gromacs: version bump
Package-Manager: Portage-2.3.13, Repoman-2.3.3
Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump
Package-Manager: Portage-2.3.13, Repoman-2.3.4
Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Add opencl support and 2018_beta1
Package-Manager: Portage-2.3.16, Repoman-2.3.6
Christoph Junghans · gentoo
sci-chemistry/gromacs: version bump
Package-Manager: Portage-2.3.6, Repoman-2.3.1
David Hicks · gentoo
sci-chemistry/gromacs: use HTTPS for GitHub and doc links
Package-Manager: Portage-2.3.6, Repoman-2.3.3
Christoph Junghans · gentoo
sci-chemistry/gromacs: version bump
Package-Manager: Portage-2.3.3, Repoman-2.3.1
Agostino Sarubbo · gentoo
sci-chemistry/gromacs: x86 stable wrt bug #589032
Package-Manager: portage-2.3.3 RepoMan-Options: --include-arches="x86" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
Robin H. Johnson · gentoo
Drop $Id$ per council decision in bug #611234.
Signed-off-by: Robin H. Johnson <robbat2@gentoo.org>
Michael Weber · gentoo
sci-chemistry/gromacs: arm stable (bug 589032).
Package-Manager: Portage-2.3.3, Repoman-2.3.1
Agostino Sarubbo · gentoo
sci-chemistry/gromacs: amd64 stable wrt bug #589032
Package-Manager: portage-2.3.3 RepoMan-Options: --include-arches="amd64" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
Christoph Junghans · gentoo
sci-chemistry/gromacs: version bump
Package-Manager: Portage-2.3.3, Repoman-2.3.1
T. Malfatti · gentoo
media-libs/portaudio: Version bump
Christoph Junghans · gentoo
sci-chemistry/gromacs: version bump
Package-Manager: portage-2.3.0
Christoph Junghans · gentoo
sci-chemistry/gromacs: fix build with mkl (bug #592786)
Package-Manager: portage-2.2.28
Christoph Junghans · gentoo
sci-chemistry/gromacs: add missing test dep
Package-Manager: portage-2.2.28
Christoph Junghans · gentoo
sci-chemistry/gromacs: fix sandbox issue (bug #591952)
Package-Manager: portage-2.2.28
Christoph Junghans · gentoo
sci-chemistry/gromacs: remove old
Package-Manager: portage-2.2.28
Christoph Junghans · gentoo
sci-chemistry/gromacs: re-enable testing (bug #591174)
Package-Manager: portage-2.2.28
Alexey Shvetsov · gentoo
sci-chemistry/gromacs: add release 2016
Package-Manager: portage-2.3.0
Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump
Package-Manager: portage-2.3.0
Christoph Junghans · gentoo
sci-chemistry/gromacs: update live ebuild
Package-Manager: portage-2.2.28
Christoph Junghans · gentoo
sci-chemistry/gromacs: import live builds from sci overlay
Package-Manager: portage-2.2.28
Christoph Junghans · gentoo
sci-chemistry/gromacs: sync with sci overlay (bug #588648)
Package-Manager: portage-2.2.28
Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Clean up old version
Package-Manager: portage-2.3.0
Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump
Package-Manager: portage-2.3.0
Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump! =D
Package-Manager: portage-2.2.24
Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump
Package-Manager: portage-2.2.23
Christoph Junghans · gentoo
sci-chemistry/gromacs: version bump
Package-Manager: portage-2.2.20.1
Robin H. Johnson · gentoo
proj/gentoo: Initial commit
This commit represents a new era for Gentoo: Storing the gentoo-x86 tree in Git, as converted from CVS. This commit is the start of the NEW history. Any historical data is intended to be grafted onto this point. Creation process: 1. Take final CVS checkout snapshot 2. Remove ALL ChangeLog* files 3. Transform all Manifests to thin 4. Remove empty Manifests 5. Convert all stale $Header$/$Id$ CVS keywords to non-expanded Git $Id$ 5.1. Do not touch files with -kb/-ko keyword flags. Signed-off-by: Robin H. Johnson <robbat2@gentoo.org> X-Thanks: Alec Warner <antarus@gentoo.org> - did the GSoC 2006 migration tests X-Thanks: Robin H. Johnson <robbat2@gentoo.org> - infra guy, herding this project X-Thanks: Nguyen Thai Ngoc Duy <pclouds@gentoo.org> - Former Gentoo developer, wrote Git features for the migration X-Thanks: Brian Harring <ferringb@gentoo.org> - wrote much python to improve cvs2svn X-Thanks: Rich Freeman <rich0@gentoo.org> - validation scripts X-Thanks: Patrick Lauer <patrick@gentoo.org> - Gentoo dev, running new 2014 work in migration X-Thanks: Michał Górny <mgorny@gentoo.org> - scripts, QA, nagging X-Thanks: All of other Gentoo developers - many ideas and lots of paint on the bikeshed