| Port details on branch 2022Q2 |
- atompaw Tool for projector augmented wave functions for molecular simulations
- 4.2.0.3_2 science
 =2      4.2.0.3_2Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
- Port Added: 2018-06-14 05:53:10
- Last Update: 2025-01-24 12:18:28
- Commit Hash: 6cce1f5
- People watching this port, also watch:: jdictionary, py311-Automat, py311-python-gdsii, py311-PyOpenGL, p5-Sane
- License: GPLv3
- WWW:
- https://users.wfu.edu/natalie/papers/pwpaw/
- Description:
- atompaw is a tool to generate projector and basis functions needed for
performing electronic structure calculations based on the projector
augmented wave (PAW) method.
PAW method is based on the publication
http://www.sciencedirect.com/science/article/pii/S0370157300000077
  ¦  ¦  ¦  ¦ 
- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - Dependency lines:
-
- atompaw>0:science/atompaw
- To install the port:
- cd /usr/ports/science/atompaw/ && make install clean
- To add the package, run one of these commands:
- pkg install science/atompaw
- pkg install atompaw
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: atompaw
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1690356331
SHA256 (atompaw-4.2.0.3.tar.gz) = 9fd4f9b60e793eee10aead4296e89f0bd6e8612b729a15e2401bbd90e4e9dd2d
SIZE (atompaw-4.2.0.3.tar.gz) = 5824502
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:
-
- gfortran13 : lang/gcc13
- gmake>=4.4.1 : devel/gmake
- as : devel/binutils
- Runtime dependencies:
-
- gfortran13 : lang/gcc13
- Library dependencies:
-
- liblapack.so : math/lapack
- libblas.so : math/blas
- libxc.so : science/libxc
- This port is required by:
- for Run
-
- science/abinit
Configuration Options:- ===> The following configuration options are available for atompaw-4.2.0.3_2:
DOCS=on: Build and/or install documentation
LIBXC=on: Build with libxc
===> Use 'make config' to modify these settings
- Options name:
- science_atompaw
- USES:
- fortran gmake libtool
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
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