BSD Portsscience/plumed 2.10.1 FreeBSD
PLUgin for MolEcular Dynamics
- System
- FreeBSD
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- Last update
- Commit
d937e8844c- License
- LGPL3
- Categories
- science, graphics
- Package size
- 5954.1 KiB, 42975.1 KiB installed
Description
PLUMED is an open-source, community-developed library designed to work with molecular dynamics (MD) simulations. It provides a comprehensive toolbox of methods, including enhanced-sampling algorithms, free-energy methods, and advanced tools for analyzing the vast amounts of data produced by MD simulations.
This versatile library offers a wide range of collective variables, making it suitable for studying complex processes across various scientific disciplines such as physics, chemistry, material science, and biology. PLUMED seamlessly integrates with popular MD engines like GROMACS and LAMMPS, as well as analysis tools such as VMD. Its API supports multiple programming languages (C, C++, Fortran, Python) and its L-GPL license ensures compatibility with proprietary software.
In the other systems
| System | Port | Version |
|---|---|---|
| FreeBSD | science/plumed | 2.10.1 |
| NetBSD | math/plumed | 2.8.0nb2 |
| DragonFly | science/plumed | 2.7.2 |
Install
Binary package:
pkg install plumedFrom the ports tree:
cd /usr/ports/science/plumed/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= plumed>0:science/plumed
LIB_DEPENDS= libplumed.so:science/plumedPackages
The version each package repository carries. “-” means the repository builds no package of it, “n/a” that there is no such repository.
| Repository | aarch64 | amd64 | armv6 | armv7 | i386 |
|---|---|---|---|---|---|
| FreeBSD:14:latest | 2.10.1 | 2.10.1 | - | 2.9.3_1 | - |
| FreeBSD:14:quarterly | 2.10.1 | 2.10.1 | n/a | 2.9.3_1 | - |
| FreeBSD:15:latest | 2.10.1 | 2.10.1 | n/a | 2.9.3_1 | - |
| FreeBSD:15:quarterly | 2.10.1 | 2.10.1 | n/a | n/a | n/a |
| FreeBSD:16:latest | 2.10.1 | 2.10.1 | n/a | n/a | n/a |
| FreeBSD:16:quarterly | n/a | n/a | n/a | n/a | n/a |
Dependencies
As this port's Makefile names them.
Build 2
bash: shells/bashbash-completion>0: shells/bash-completion
Library 4
libblas.so: math/blaslibfftw3.so: math/fftw3libgsl.so: math/gslliblapack.so: math/lapack
Runtime 1
bash: shells/bash
Test 1
gawk: lang/gawk
The full lists below include those, and their dependencies in turn.
Build dependencies 24
- archivers/liblz4
- archivers/zstd
- devel/autoconf
- devel/autoconf-switch
- devel/automake
- devel/binutils
- devel/gettext-runtime
- devel/gmake
- devel/m4
- devel/pkgconf
- lang/gcc14
- lang/perl5.42
- math/blas
- math/fftw3
- math/gmp
- math/gsl
- math/lapack
- math/mpc
- math/mpfr
- print/indexinfo
- shells/bash
- shells/bash-completion
- shells/bash-completion-freebsd
- shells/bash-completion-zfs
Run dependencies 14
Configuration
No options to configure.
- USES
- autoreconf compiler:c++11-lang fortran gmake localbase pkgconfig shebangfix tar:tgz
- Service scripts
- none
Files
pkg-plist 659
- bin/plumed
- bin/plumed-config
- bin/plumed-patch
- include/plumed/asmjit/arch.h
- include/plumed/asmjit/arm.h
- include/plumed/asmjit/asmjit.h
- include/plumed/asmjit/asmjit_apibegin.h
- include/plumed/asmjit/asmjit_apiend.h
- include/plumed/asmjit/asmjit_build.h
- include/plumed/asmjit/assembler.h
- include/plumed/asmjit/base.h
- include/plumed/asmjit/codebuilder.h
- include/plumed/asmjit/codecompiler.h
- include/plumed/asmjit/codeemitter.h
- include/plumed/asmjit/codeholder.h
- include/plumed/asmjit/constpool.h
- include/plumed/asmjit/cpuinfo.h
- include/plumed/asmjit/func.h
- include/plumed/asmjit/globals.h
- include/plumed/asmjit/inst.h
- include/plumed/asmjit/logging.h
- include/plumed/asmjit/misc_p.h
- include/plumed/asmjit/moved_string.h
- include/plumed/asmjit/operand.h
- include/plumed/asmjit/osutils.h
- include/plumed/asmjit/regalloc_p.h
- include/plumed/asmjit/runtime.h
- include/plumed/asmjit/simdtypes.h
- include/plumed/asmjit/utils.h
- include/plumed/asmjit/vmem.h
- include/plumed/asmjit/x86.h
- include/plumed/asmjit/x86assembler.h
- include/plumed/asmjit/x86builder.h
- include/plumed/asmjit/x86compiler.h
- include/plumed/asmjit/x86emitter.h
- include/plumed/asmjit/x86globals.h
- include/plumed/asmjit/x86inst.h
- include/plumed/asmjit/x86instimpl_p.h
- include/plumed/asmjit/x86internal_p.h
- include/plumed/asmjit/x86logging_p.h
- include/plumed/asmjit/x86misc.h
- include/plumed/asmjit/x86operand.h
- include/plumed/asmjit/x86regalloc_p.h
- include/plumed/asmjit/zone.h
- include/plumed/bias/Bias.h
- include/plumed/bias/ReweightBase.h
- include/plumed/blas/blas.h
- include/plumed/blas/def_external.h
- include/plumed/blas/def_internal.h
- include/plumed/blas/real.h
- include/plumed/cltools/CLTool.h
- include/plumed/colvar/Colvar.h
- include/plumed/colvar/ColvarShortcut.h
- include/plumed/colvar/CoordinationBase.h
- include/plumed/colvar/MultiColvarTemplate.h
- include/plumed/colvar/PathMSDBase.h
- include/plumed/colvar/RMSDVector.h
- include/plumed/config/Config.h
- include/plumed/config/version.h
- include/plumed/core/Action.h
- include/plumed/core/ActionAnyorder.h
- include/plumed/core/ActionAtomistic.h
- include/plumed/core/ActionForInterface.h
- include/plumed/core/ActionPilot.h
- include/plumed/core/ActionRegister.h
- include/plumed/core/ActionSet.h
- include/plumed/core/ActionSetup.h
- include/plumed/core/ActionShortcut.h
- include/plumed/core/ActionToGetData.h
- include/plumed/core/ActionToPutData.h
- include/plumed/core/ActionWithArguments.h
- include/plumed/core/ActionWithMatrix.h
- include/plumed/core/ActionWithValue.h
- include/plumed/core/ActionWithVector.h
- include/plumed/core/ActionWithVirtualAtom.h
- include/plumed/core/CLTool.h
- include/plumed/core/CLToolMain.h
- include/plumed/core/CLToolRegister.h
- include/plumed/core/Colvar.h
- include/plumed/core/DataPassingObject.h
- include/plumed/core/DataPassingTools.h
- include/plumed/core/DomainDecomposition.h
- include/plumed/core/ExchangePatterns.h
- include/plumed/core/FlexibleBin.h
- include/plumed/core/GREX.h
- include/plumed/core/GenericMolInfo.h
- include/plumed/core/Group.h
- include/plumed/core/ModuleMap.h
- include/plumed/core/PbcAction.h
- include/plumed/core/PlumedMain.h
- include/plumed/core/PlumedMainInitializer.h
- include/plumed/core/RegisterBase.h
- include/plumed/core/TargetDist.h
- include/plumed/core/Value.h
- include/plumed/core/WithCmd.h
- include/plumed/function/Between.h
- include/plumed/function/Combine.h
- include/plumed/function/Custom.h
- include/plumed/function/Function.h
- include/plumed/function/FunctionOfMatrix.h
The first 100 are listed.
distinfo 1
| File | Size | SHA256 |
|---|---|---|
| plumed-2.10.1.tgz | 1.2544864e+08 | b1de67269229712d8c9d79daa2a9aee05c20a0dc19c99fcfcf43c7c9e67421e1 |
Master sites 1
- https://github.com/plumed/plumed2/releases/download/v2.10.1/