Versions
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
- blas build-manual clang clang-cuda cuda custom-cflags doc double-precision fftw gmxapi gmxapi-legacy hdf5 hwloc lapack mkl mpi nnpot offensive opencl openmp python single-precision test threads tng
v2025.9999 :: 0/2025.9999 :: gentoo
- Modified
- License
- LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
- USE flags
- blas build-manual clang clang-cuda cuda custom-cflags doc double-precision fftw gmxapi gmxapi-legacy hwloc lapack mkl mpi nnpot offensive opencl openmp python single-precision test threads tng
v2025.0_beta :: 0/2025.0_beta :: gentoo
- Modified
- License
- LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
- Keywords
- -arm -x86 -x86-linux ~amd64 ~amd64-linux ~arm64 ~riscv ~x64-macos
- USE flags
- blas build-manual clang clang-cuda cuda custom-cflags doc double-precision fftw gmxapi gmxapi-legacy hwloc lapack mkl mpi nnpot offensive opencl openmp python single-precision test threads tng
v2024.9999 :: 0/2024.9999 :: gentoo
- Modified
- License
- LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
- USE flags
- blas build-manual clang clang-cuda cuda custom-cflags doc double-precision fftw gmxapi gmxapi-legacy hwloc lapack mkl mpi offensive opencl openmp python single-precision test threads tng
v2024.4 :: 0/2024.4 :: gentoo
- Modified
- License
- LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
- Keywords
- -arm -x86 -x86-linux ~amd64 ~amd64-linux ~arm64 ~riscv ~x64-macos
- USE flags
- blas build-manual clang clang-cuda cuda custom-cflags doc double-precision fftw gmxapi gmxapi-legacy hwloc lapack mkl mpi offensive opencl openmp python single-precision test threads tng
v2024.3 :: 0/2024.3 :: gentoo
- Modified
- License
- LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
- Keywords
- -arm -x86 -x86-linux amd64 arm64 ~amd64-linux ~riscv ~x64-macos
- USE flags
- blas build-manual clang clang-cuda cuda custom-cflags doc double-precision fftw gmxapi gmxapi-legacy hwloc lapack mkl mpi offensive opencl openmp python single-precision test threads tng
v2023.9999 :: 0/2023.9999 :: gentoo
- Modified
- License
- LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
- USE flags
- blas build-manual clang clang-cuda cuda custom-cflags doc double-precision fftw gmxapi gmxapi-legacy hwloc lapack mkl mpi offensive opencl openmp python single-precision test threads tng
v2023.5 :: 0/2023.5 :: gentoo
- Modified
- License
- LGPL-2.1 UoI-NCSA !mkl? ( !fftw? ( BSD ) !blas? ( BSD ) !lapack? ( BSD ) ) cuda? ( LGPL-3 ) threads? ( BSD )
- Keywords
- -arm amd64 arm64 ~amd64-linux ~x64-macos ~x86 ~x86-linux
- USE flags
- blas build-manual clang clang-cuda cuda custom-cflags doc double-precision fftw gmxapi gmxapi-legacy hwloc lapack mkl mpi offensive opencl openmp python single-precision test threads tng
USE flags
General
- blas
- Add support for the virtual/blas numerical library
- build-manual
- Build manual instead of downloading it
- clang
- Build gromacs with Clang instead of default compiler
- clang-cuda
- Use clang for cuda units compilation
- 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
- hdf5
- Add support for the Hierarchical Data Format v5
- hwloc
- Enable HWLoc lib support
- lapack
- Add support for the virtual/lapack numerical library
- mkl
- Use sci-libs/mkl for fft, blas, lapack routines
- mpi
- Add MPI (Message Passing Interface) layer to the apps that support it
- nnpot
- Allow to use sci-libs/caffe2 for NN Potentials
- 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_10
- Build for Python 3.10 only
- python3_11
- Build for Python 3.11 only
- python3_12
- Build for Python 3.12 only
Runtime Dependencies
dev-cpp / muParser : Library for parsing mathematical expressions
dev-lang / python : Freethreading (no-GIL) version of Python programming language
dev-util / nvidia-cuda-toolkit : NVIDIA CUDA Toolkit (compiler and friends)
sci-libs / caffe2 : A deep learning framework
sci-libs / fftw : Fast C library for the Discrete Fourier Transform
sci-libs / hdf5 : General purpose library and file format for storing scientific data
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
sys-devel / clang-runtime : Meta-ebuild for clang runtime libraries
sys-devel / gcc : The GNU Compiler Collection
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
Depending packages
sci-chemistry / vmd : Visual Molecular Dynamics
sci-chemistry / votca : Versatile Object-oriented Toolkit for Coarse-graining Applications
Bugs
- 856415
- sci-chemistry/gromacs: uses distuitls-r1.eclass incorrectly
- 914360
- sci-chemistry/gromacs: don't drop GMXRC files
- 930796
- sci-chemistry/gromacs-2024.1 - /.../pme_gpu_internal.cpp: error: MPI_INT was not declared in this scope
- 945066
- sci-chemistry/gromacs-2025.0_beta - -- Configuring incomplete, errors occurred!
- 945789
- sci-chemistry/gromacs-2025.0_beta fails to compile: gmxapicompat.h:103:23: error: int64_t was not declared in this scope
Change logs
- Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: hdf5 support not ready for 2025
Closes: https://bugs.gentoo.org/944796 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: drop 2020.7-r1, 2021.7-r1, 2022.6
Closes: https://bugs.gentoo.org/836855 Closes: https://bugs.gentoo.org/907989 Closes: https://bugs.gentoo.org/928852 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Michał Górny · gentoo
sci-chemistry/gromacs: Stabilize 2024.3 amd64, #944251
Signed-off-by: Michał Górny <mgorny@gentoo.org> - Michał Górny · gentoo
sci-chemistry/gromacs: Stabilize 2023.5 amd64, #944251
Signed-off-by: Michał Górny <mgorny@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: disable man pages build
Its br0ken upsteam for beta Bug: https://gitlab.com/gromacs/gromacs/-/issues/5241 Closes: https://bugs.gentoo.org/944369 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Arthur Zamarin · gentoo
sci-chemistry/gromacs: Stabilize 2023.5 arm64, #944251
Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> - Arthur Zamarin · gentoo
sci-chemistry/gromacs: Stabilize 2024.3 arm64, #944251
Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: also drop x86 keyword on prefix for 2024+
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: drop x86-32 since upstream already did it
Closes: https://bugs.gentoo.org/927900 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Fix build with gcc-15
Closes: https://bugs.gentoo.org/937696 Closes: https://bugs.gentoo.org/939006 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: add 2024.4
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: drop 2024
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: add first beta for 2025 release
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Re-enable man-pages
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: drop upstreamed patch
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Sync patch with upstreamed one
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Correct depend when openmp is enabled
Closes: https://bugs.gentoo.org/927990 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Update live version
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: drop 2024.1, 2024.2
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: add 2024.3
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: drop 2023.4
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: add 2023.5
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Add ~riscv keyword
Tested on visionfive2 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: add 2024.2
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Andreas Sturmlechner · gentoo
sci-chemistry/gromacs: drop 2018.8-r2, 2019.6-r3
Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: add 2023.4, drop 2023.3
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: drop 2022.9999
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: drop 2021.6
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: drop 2022.5-r1
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: drop 2023.1-r1, 2023.2
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: add 2024.1
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: add 2024, drop 2024_rc
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: add 2023.3
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Matoro Mahri · gentoo
sci-chemistry/gromacs: destabilize for ~arm
Closes: https://bugs.gentoo.org/906679 Signed-off-by: Matoro Mahri <matoro_gentoo@matoro.tk> Signed-off-by: Ionen Wolkens <ionen@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: add 2024_rc, drop 2024_beta
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Michał Górny · gentoo
Move {app-doc → app-text}/doxygen
Per the category metadata, app-doc/ is reserved for documentation *files* and not software. Move it to app-text/ where it seems a better fit. Signed-off-by: Michał Górny <mgorny@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: add 2024_beta, 2024.9999
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: enable py3.12
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: add quotes for ${HOME}
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: disable py3.9
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Fix urls
Thanks to Andrey Alekseenko Closes: https://bugs.gentoo.org/910639 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Pacho Ramos · gentoo
sci-chemistry/gromacs: Fix compilation with gcc-13
Closes: https://bugs.gentoo.org/915694 Signed-off-by: Pacho Ramos <pacho@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: add 2023.2
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: add 2022.6
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Sam James · gentoo
sci-chemistry/gromacs: Stabilize 2021.7-r1 amd64, #906679
Signed-off-by: Sam James <sam@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Pacho Ramos · gentoo
sci-chemistry/gromacs: drop 2022.4, 2023
Signed-off-by: Pacho Ramos <pacho@gentoo.org> - Pacho Ramos · gentoo
sci-chemistry/gromacs: Needs to be rebuilt with cuda subslot changes
Signed-off-by: Pacho Ramos <pacho@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Fix docs build for pdf manual
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Arthur Zamarin · gentoo
sci-chemistry/gromacs: destabilize for ~x86
Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Fix build with cuda-12
Thanks to pacho@gentoo.org for patch Closes: https://bugs.gentoo.org/900204 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: add 2023.1
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: add 2023, drop 2023_rc1
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: add 2022.5
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Revert changes related to wchar
This reverts commit b26ca4509f03b1cbf969c0735fefc98e2da3f5aa. Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: add 2021.7
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: drop versions
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Andreas Sturmlechner · gentoo
sci-chemistry/gromacs: drop 2021.9999
No more development? Last commit happened two years ago. Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Arthur Zamarin · gentoo
sci-chemistry/gromacs: Stabilize 2021.6 arm, #887555
Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> - Arthur Zamarin · gentoo
sci-chemistry/gromacs: Stabilize 2020.7 arm, #887553
Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> - Arthur Zamarin · gentoo
sci-chemistry/gromacs: Stabilize 2019.6-r2 arm, #887551
Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Arthur Zamarin · gentoo
sci-chemistry/gromacs: Stabilize 2021.6 x86, #887555
Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> - Arthur Zamarin · gentoo
sci-chemistry/gromacs: Stabilize 2020.7 x86, #887553
Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> - Arthur Zamarin · gentoo
sci-chemistry/gromacs: Stabilize 2020.7 amd64, #887553
Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> - Arthur Zamarin · gentoo
sci-chemistry/gromacs: Stabilize 2019.6-r2 x86, #887551
Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> - Arthur Zamarin · gentoo
sci-chemistry/gromacs: Stabilize 2019.6-r2 amd64, #887551
Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - David Seifert · gentoo
*/*: remove py3.8 from PYTHON_COMPAT
Signed-off-by: David Seifert <soap@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - David Seifert · gentoo
*/*: make mycmakeargs local
Closes: https://github.com/gentoo/gentoo/pull/28947 Signed-off-by: David Seifert <soap@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Christoph Junghans · gentoo
sci-chemistry/gromacs: fix muParser dep
Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Christoph Junghans <junghans@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Fix manual build
Closes: https://bugs.gentoo.org/887611 Closes: https://bugs.gentoo.org/887683 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Sam James · gentoo
sci-chemistry/gromacs: Stabilize 2021.6 amd64, #887555
Signed-off-by: Sam James <sam@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Refuse to build with double + opencl enabled
Closes: https://bugs.gentoo.org/873166 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: remove mkl-10 hack
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Make all uris https
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Add 2023.x release series
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Fix pep517
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Add 2022.4 and fix pep517
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: add 2021.6
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: add 2022.3, drop 2022.1
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Arthur Zamarin · gentoo
sci-chemistry/gromacs: Keyword 2022.2 arm64, #856388
Signed-off-by: Arthur Zamarin <arthurzam@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Update 9999
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: arm was dropped upstream since 2022.x
Closes: https://bugs.gentoo.org/844100 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: eneble py3.11
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: enable py3.11
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: enable py3.11
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: enable py3.11
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: drop 2022
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: add 2022.2
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Sam James · gentoo
sci-chemistry/gromacs: Keyword 2022.1 arm, #834865
Signed-off-by: Sam James <sam@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - David Seifert · gentoo
sci-chemistry/gromacs: [QA] tc-has-openmp → tc-check-openmp
Signed-off-by: David Seifert <soap@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: dropped unused eclass
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: add 2022.1
Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: New release
Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Fix build for musl
Closes: https://bugs.gentoo.org/828673 Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Fix musl build (missing int64_t) for 2022
Closes: https://bugs.gentoo.org/833599 Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Fix misspelling
Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Cleanup
Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Fix gromacs citaton
Closes: https://bugs.gentoo.org/755254 Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Add missing inherit
Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Drop unused eclass
Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Drop non-exising blocker
Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Allow to build with clang
Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Jakov Smolić · gentoo
sci-chemistry/gromacs: Stabilize 2021.3-r1 x86, #814101
Signed-off-by: Jakov Smolić <jsmolic@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: version bump for 2020.7
Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Cleanup 2021 versions
Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: there no mdrun_only builds with gromacs 2022
Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: rc1 added
Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump
Package-Manager: Portage-3.0.30, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: version bump to 2021.4
Package-Manager: Portage-3.0.28, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Christoph Junghans · gentoo
sci-chemistry/gromacs: fix v2019 build on newer glibc
Package-Manager: Portage-3.0.28, Repoman-3.0.3 Signed-off-by: Christoph Junghans <junghans@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Sam James · gentoo
sci-chemistry/gromacs: needs mpi[cxx]
Closes: https://bugs.gentoo.org/821712 Signed-off-by: Sam James <sam@gentoo.org> - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Fix deps
Package-Manager: Portage-3.0.28, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Unbundle muParser
Closes: https://bugs.gentoo.org/820620 Package-Manager: Portage-3.0.28, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Add 2022_beta1
Package-Manager: Portage-3.0.28, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - David Seifert · gentoo
sci-chemistry/gromacs: PYTHON_MULTI_USEDEP -> PYTHON_USEDEP
Signed-off-by: David Seifert <soap@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: drop old
Package-Manager: Portage-3.0.20, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Allow to download manual instead of building it
Package-Manager: Portage-3.0.20, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Update patches
Package-Manager: Portage-3.0.18, Repoman-3.0.3 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Sam James · gentoo
sci-chemistry/gromacs: eutils--
Signed-off-by: Sam James <sam@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - Sam James · gentoo
sci-chemistry/gromacs: fix variable references
Package-Manager: Portage-3.0.14-prefix, Repoman-3.0.2 Signed-off-by: Sam James <sam@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump to release
Package-Manager: Portage-3.0.14, Repoman-3.0.2 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Michał Górny · gentoo
*/*: Remove obsolete values from PYTHON_COMPAT
Signed-off-by: Michał Górny <mgorny@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump
Package-Manager: Portage-3.0.8, Repoman-3.0.2 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump
Package-Manager: Portage-3.0.8, Repoman-3.0.1 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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 - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - Michał Górny · gentoo
sci-chemistry/gromacs: Switch to PYTHON_MULTI_USEDEP API
Signed-off-by: Michał Górny <mgorny@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Drop old version
Package-Manager: Portage-2.3.85, Repoman-2.3.20 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Fix bashcomp install
Package-Manager: Portage-2.3.83, Repoman-2.3.20 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Drop redundant versions
Package-Manager: Portage-2.3.83, Repoman-2.3.20 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: 2020_rc1
Package-Manager: Portage-2.3.81, Repoman-2.3.20 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump for 2018.x series
Package-Manager: Portage-2.3.76, Repoman-2.3.17 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Fix some pkgchek warnings
Package-Manager: Portage-2.3.76, Repoman-2.3.17 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - Thomas Deutschmann · gentoo
sci-chemistry/gromacs: add missing trailing slashes
Package-Manager: Portage-2.3.76, Repoman-2.3.17 Signed-off-by: Thomas Deutschmann <whissi@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - Michał Górny · gentoo
sci-chemistry/gromacs: Add missing PYTHON_*
Signed-off-by: Michał Górny <mgorny@gentoo.org> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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" - Repository mirror & CI · gentoo
Merge updates from master - 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" - Repository mirror & CI · gentoo
Merge updates from master - 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" - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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 - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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 - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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 - Repository mirror & CI · gentoo
Merge updates from master - 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 - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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> - Repository mirror & CI · gentoo
Merge updates from master - 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 - Repository mirror & CI · gentoo
Merge updates from master - 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 - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump
Package-Manager: Portage-2.3.47, Repoman-2.3.10 - Repository mirror & CI · gentoo
Merge updates from master - 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 - Repository mirror & CI · gentoo
Merge updates from master - Alexey Shvetsov · gentoo
sci-chemistry/gromacs: Version bump
Package-Manager: Portage-2.3.40, Repoman-2.3.9 - Repository mirror & CI · gentoo
Merge updates from master - 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