BSD Portsscience/gpaw-setups 0.9.20000 FreeBSD
Setups (data files) for py-gpaw, the DFT quantum chemistry software
- System
- FreeBSD
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- Last update
- Commit
c3f806d4fa- License
- GPLv3+
- Categories
- science
- Package size
- 51385.3 KiB, 51503.5 KiB installed
Description
A setup is to the PAW method what a pseudo-potential is to the pseudo-potential method. There are setups for the LDA, PBE, revPBE, RPBE and GLLBSC functionals. The setups are stored as compressed XML specification for atomic PAW datasets files.
This package installs the setups into the default location, $(PREFIX)/share/gpaw-setups. You can use the GPAW_SETUP_PATH environment variable with py-gpaw to override this default location.
In the other systems
| System | Port | Version |
|---|---|---|
| FreeBSD | science/gpaw-setups | 0.9.20000 |
| DragonFly | science/gpaw-setups | 0.9.20000 |
| HardenedBSD | science/gpaw-setups | 0.9.20000 |
| GhostBSD | science/gpaw-setups | 0.9.20000 |
Install
Binary package:
pkg install gpaw-setupsFrom the ports tree:
cd /usr/ports/science/gpaw-setups/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= gpaw-setups>0:science/gpaw-setupsPackages
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 | 0.9.20000 | 0.9.20000 | 0.9.20000 | 0.9.20000 | 0.9.20000 |
| FreeBSD:14:quarterly | 0.9.20000 | 0.9.20000 | n/a | 0.9.20000 | 0.9.20000 |
| FreeBSD:15:latest | 0.9.20000 | 0.9.20000 | n/a | 0.9.20000 | 0.9.20000 |
| FreeBSD:15:quarterly | 0.9.20000 | 0.9.20000 | n/a | n/a | n/a |
| FreeBSD:16:latest | 0.9.20000 | 0.9.20000 | 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.
Required by 1
Configuration
No options to configure.
- Service scripts
- none
Files
distinfo 1
| File | Size | SHA256 |
|---|---|---|
| gpaw-setups-0.9.20000.tar.gz | 5.2648851e+07 | 6c71682be12a41e17909f65fd7c1a2e4a6a7becb63fbeed2f0f3a1616d6fd41f |
Master sites 1
- https://wiki.fysik.dtu.dk/gpaw-files/