| Port details on branch 2022Q2 |
- gromacs Compute molecular dynamics
- 2021.5_2 science
 =0      2021.5_2Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
- Port Added: 2022-04-24 04:16:20
- Last Update: 2022-04-10 19:47:23
- Commit Hash: 035e778
- License: LGPL21
- WWW:
- http://www.gromacs.org
- Description:
- GROMACS is a versatile package to perform molecular dynamics, i.e.
simulate the Newtonian equations of motion for systems with hundreds to
millions of particles.
WWW: http://www.gromacs.org
  ¦  ¦  ¦  ¦ 
- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - USE_RC_SUBR (Service Scripts)
- no SUBR information found for this port
- Dependency lines:
-
- gromacs>0:science/gromacs
- To install the port:
- cd /usr/ports/science/gromacs/ && make install clean
- To add the package, run one of these commands:
- pkg install science/gromacs
- pkg install gromacs
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: gromacs
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1642283496
SHA256 (gromacs-2021.5.tar.gz) = eba63fe6106812f72711ef7f76447b12dd1ee6c81b3d8d4d0e3098cd9ea009b6
SIZE (gromacs-2021.5.tar.gz) = 38023772
Packages (timestamps in pop-ups are UTC):
- Dependencies
- NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
- Build dependencies:
-
- boost-libs>=1.44 : devel/boost-libs
- cmake : devel/cmake
- gfortran10 : lang/gcc10
- pkgconf>=1.3.0_1 : devel/pkgconf
- as : devel/binutils
- perl5>=5.32.r0<5.33 : lang/perl5.32
- ice.pc : x11/libICE
- sm.pc : x11/libSM
- xext.pc : x11/libXext
- x11.pc : x11/libX11
- Runtime dependencies:
-
- gfortran10 : lang/gcc10
- perl5>=5.32.r0<5.33 : lang/perl5.32
- ice.pc : x11/libICE
- sm.pc : x11/libSM
- xext.pc : x11/libXext
- x11.pc : x11/libX11
- Library dependencies:
-
- libhwloc.so : devel/hwloc2
- libfftw3.so : math/fftw3
- libxml2.so : textproc/libxml2
- libblas.so : math/blas
- liblapack.so : math/lapack
- There are no ports dependent upon this port
Configuration Options:- ===> The following configuration options are available for gromacs-2021.5_2:
ATLAS=off: Use ATLAS for BLAS and LAPACK
FLOAT=off: Use single instead of double precision
LEGACY=on: Install legacy API
OPENCL=off: Heterogeneous computing via OpenCL
OPENMP=on: Parallel processing support via OpenMP
SIMD=off: Use CPU-specific optimizations
X11=on: X11 (graphics) support
====> Multiprocessing: you have to select exactly one of them
NOMP=off: No multiprocessing support
MPICH=off: Parallel processing support via MPICH 3
OPENMPI=off: Parallel processing support via Open MPI
THREAD_MPI=on: Build a thread-MPI-based multithreaded version of GROMACS
===> Use 'make config' to modify these settings
- Options name:
- science_gromacs
- USES:
- cmake compiler:c++14-lang fortran gnome perl5 pkgconfig shebangfix xorg blaslapack
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
|
Number of commits found: 1
| Commit History - (may be incomplete: for full details, see links to repositories near top of page) |
| Commit | Credits | Log message |
|---|
2021.5_2
10 Apr 2022 19:47:23
 |
Charlie Li (vishwin) |
textproc/libxml2: bump all LIB_DEPENDS consumers
This is a separate and direct commit to quarterly as PORTREVISIONs
may not match from main.
PR: 262853, 262940, 262877
Approved by: fluffy (mentor) |
Number of commits found: 1
|
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