science/dkh 1.2_6
Wolf, Reiher, and Hess's Douglas-Kroll-Hess relativistic correction
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- Last update
- Commit
35296ab580- License
- GPLv3
- Categories
- science
- Package size
- 51.5 KiB, 125.7 KiB installed
Description
Computation of Wolf, Reiher, and Hess's Douglas-Kroll-Hess relativistic correction at 2nd-4th order wrapped in CMake for the Psi4 project.
It is based on these publications: * A. Wolf, M. Reiher, B. A. Hess, J. Chem. Phys. 117, 9215 (2002); http://dx.doi.org/10.1063/1.1515314 * M. Reiher, A. Wolf, J. Chem. Phys. 121, 10945 (2004); http://dx.doi.org/10.1063/1.1818681
Install
As a binary package — by origin, or by package name:
pkg install science/dkh
pkg install dkhFrom the ports tree:
cd /usr/ports/science/dkh/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= dkh>0:science/dkh
LIB_DEPENDS= libdkh.so:science/dkhPackages
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 | 1.2_6 | 1.2_6 | - | 1.2_6 | 1.2_6 |
| FreeBSD:14:quarterly | 1.2_6 | 1.2_6 | n/a | 1.2_6 | 1.2_6 |
| FreeBSD:15:latest | 1.2_6 | 1.2_6 | n/a | 1.2_6 | 1.2_6 |
| FreeBSD:15:quarterly | 1.2_6 | 1.2_6 | n/a | n/a | n/a |
| FreeBSD:16:latest | 1.2_6 | 1.2_6 | n/a | n/a | n/a |
| FreeBSD:16:quarterly | n/a | n/a | n/a | n/a | n/a |
Dependencies
The Makefile names none itself; they come from USES and USE_*.
The full lists below include those, and their dependencies in turn.
All build dependencies 17
All run dependencies 8
No port depends on this one.
Configuration
No options to configure.
- USES
- cmake fortran
- Service scripts
- none
Files
pkg-plist 6
- include/DKH/DKH_MANGLE.h
- lib/libdkh.so
- share/cmake/dkh/dkhConfig.cmake
- share/cmake/dkh/dkhConfigVersion.cmake
- share/cmake/dkh/dkhTargets-.cmake
- share/cmake/dkh/dkhTargets.cmake
distinfo 1
| File | Size | SHA256 |
|---|---|---|
| psi4-dkh-v1.2_GH0.tar.gz | 15669 | 757cd4f9c1bf9a1c63c980e4478115b5a2a750b80b477522d7090d2326e43a1d |