| Port details on branch 2022Q3 |
- cp2k Quantum chemistry and solid state physics software package
- 9.1.0 science
 =0      9.1.0Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
- Port Added: 2022-08-14 00:41:18
- Last Update: 2022-07-25 02:06:32
- Commit Hash: bbc1372
- License: GPLv2+
- WWW:
- https://www.cp2k.org/
- Description:
- CP2K is a quantum chemistry and solid state physics software package that can
perform atomistic simulations of solid state, liquid, molecular, periodic,
material, crystal, and biological systems. CP2K provides a general framework for
different modeling methods such as DFT using the mixed Gaussian and plane waves
approaches GPW and GAPW. Supported theory levels include DFTB, LDA, GGA, MP2,
RPA, semi-empirical methods (AM1, PM3, PM6, RM1, MNDO, ...), and classical force
fields (AMBER, CHARMM, ...). CP2K can do simulations of molecular dynamics,
metadynamics, Monte Carlo, Ehrenfest dynamics, vibrational analysis, core level
spectroscopy, energy minimization, and transition state optimization using NEB
or dimer method.
WWW: https://www.cp2k.org/
  ¦  ¦  ¦  ¦ 
- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - Dependency lines:
-
- To install the port:
- cd /usr/ports/science/cp2k/ && make install clean
- To add the package, run one of these commands:
- pkg install science/cp2k
- pkg install cp2k
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: cp2k
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1653344192
SHA256 (cp2k-cp2k-v9.1.0_GH0.tar.gz) = e0cd859e506435a38454eeaaa3bc2c1656ffd5d22698062957c84f8b4f426126
SIZE (cp2k-cp2k-v9.1.0_GH0.tar.gz) = 76638939
No package information for this port in our database- Sometimes this happens. Not all ports have packages.
- Dependencies
- NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
- Build dependencies:
-
- fypp : devel/py-fypp@py39
- gfortran11 : lang/gcc11
- gmake>=4.3 : devel/gmake
- python3.9 : lang/python39
- as : devel/binutils
- Runtime dependencies:
-
- cp2k-data>0 : science/cp2k-data
- gfortran11 : lang/gcc11
- Library dependencies:
-
- libblas.so : math/blas
- libfftw3.so : math/fftw3
- liblapack.so : math/lapack
- libint.so : science/libint
- There are no ports dependent upon this port
Configuration Options:- ===> The following configuration options are available for cp2k-9.1.0:
LIBINT=on: Use libint to evaluate integrals
====> Multiprocessing: you have to select exactly one of them
SERIAL=off: Single core (no multiprocessing)
OPENMP=on: Parallel processing support via OpenMP
MPI=off: MPI (Message Passing Interface) support
OPENMP_MPI=off: Enable both OpenMP and MPI
===> Use 'make config' to modify these settings
- Options name:
- science_cp2k
- USES:
- fortran gmake localbase:ldflags python:build shebangfix tar:bz2
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
|
As an Amazon Associate I earn from qualifying purchases.
