science/erkale-pseudopotentials g20220405 FreeBSD
Pseudopotentials for Erkale, the quantum chemistry program
- System
- FreeBSD
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- License
- GPLv2
- Categories
- science
- Package size
- 1664.4 KiB, 46945.4 KiB installed
Description
Pseudopotentials for ERKALE, a quantum chemistry program used to solve the electronic structure of atoms, molecules and molecular clusters.
In the other systems
| System | Port | Version |
|---|---|---|
| FreeBSD | science/erkale-pseudopotentials | g20220405 |
| DragonFly | science/erkale-pseudopotentials | g20220405 |
Install
Binary package:
pkg install erkale-pseudopotentialsFrom the ports tree:
cd /usr/ports/science/erkale-pseudopotentials/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= erkale-pseudopotentials>0:science/erkale-pseudopotentialsPackages
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 | g20220405 | g20220405 | g20220405 | g20220405 | g20220405 |
| FreeBSD:14:quarterly | g20220405 | g20220405 | n/a | g20220405 | g20220405 |
| FreeBSD:15:latest | g20220405 | g20220405 | n/a | g20220405 | g20220405 |
| FreeBSD:15:quarterly | g20220405 | g20220405 | n/a | n/a | n/a |
| FreeBSD:16:latest | g20220405 | g20220405 | 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
pkg-plist 323
- share/erkale-pseudopotentials/basis/3-21++G.gbs
- share/erkale-pseudopotentials/basis/3-21+G.gbs
- share/erkale-pseudopotentials/basis/3-21G.gbs
- share/erkale-pseudopotentials/basis/4-31G.gbs
- share/erkale-pseudopotentials/basis/5ZP-DKH.gbs
- share/erkale-pseudopotentials/basis/5ZP.gbs
- share/erkale-pseudopotentials/basis/6-21G.gbs
- share/erkale-pseudopotentials/basis/6-31++G(2d,2p).gbs
- share/erkale-pseudopotentials/basis/6-31++G(2df,2pd).gbs
- share/erkale-pseudopotentials/basis/6-31++G(3d,3p).gbs
- share/erkale-pseudopotentials/basis/6-31++G(3df,3pd).gbs
- share/erkale-pseudopotentials/basis/6-31++G(d,p).gbs
- share/erkale-pseudopotentials/basis/6-31++G(df,pd).gbs
- share/erkale-pseudopotentials/basis/6-31++G.gbs
- share/erkale-pseudopotentials/basis/6-31+G(2d,2p).gbs
- share/erkale-pseudopotentials/basis/6-31+G(2df,2pd).gbs
- share/erkale-pseudopotentials/basis/6-31+G(3d,3p).gbs
- share/erkale-pseudopotentials/basis/6-31+G(3df,3pd).gbs
- share/erkale-pseudopotentials/basis/6-31+G(d,p).gbs
- share/erkale-pseudopotentials/basis/6-31+G(df,pd).gbs
- share/erkale-pseudopotentials/basis/6-31+G.gbs
- share/erkale-pseudopotentials/basis/6-311++G(2d,2p).gbs
- share/erkale-pseudopotentials/basis/6-311++G(2df,2pd).gbs
- share/erkale-pseudopotentials/basis/6-311++G(3d,3p).gbs
- share/erkale-pseudopotentials/basis/6-311++G(3df,3pd).gbs
- share/erkale-pseudopotentials/basis/6-311++G(d,p).gbs
- share/erkale-pseudopotentials/basis/6-311++G(df,pd).gbs
- share/erkale-pseudopotentials/basis/6-311++G.gbs
- share/erkale-pseudopotentials/basis/6-311+G(2d,2p).gbs
- share/erkale-pseudopotentials/basis/6-311+G(2df,2pd).gbs
- share/erkale-pseudopotentials/basis/6-311+G(3d,3p).gbs
- share/erkale-pseudopotentials/basis/6-311+G(3df,3pd).gbs
- share/erkale-pseudopotentials/basis/6-311+G(d,p).gbs
- share/erkale-pseudopotentials/basis/6-311+G(df,pd).gbs
- share/erkale-pseudopotentials/basis/6-311+G.gbs
- share/erkale-pseudopotentials/basis/6-311G(2d,2p).gbs
- share/erkale-pseudopotentials/basis/6-311G(2df,2pd).gbs
- share/erkale-pseudopotentials/basis/6-311G(3d,3p).gbs
- share/erkale-pseudopotentials/basis/6-311G(3df,3pd).gbs
- share/erkale-pseudopotentials/basis/6-311G(d,p).gbs
- share/erkale-pseudopotentials/basis/6-311G(df,pd).gbs
- share/erkale-pseudopotentials/basis/6-311G.gbs
- share/erkale-pseudopotentials/basis/6-31G(2d,2p).gbs
- share/erkale-pseudopotentials/basis/6-31G(2df,2pd).gbs
- share/erkale-pseudopotentials/basis/6-31G(3d,3p).gbs
- share/erkale-pseudopotentials/basis/6-31G(3df,3pd).gbs
- share/erkale-pseudopotentials/basis/6-31G(d,p).gbs
- share/erkale-pseudopotentials/basis/6-31G(df,pd).gbs
- share/erkale-pseudopotentials/basis/6-31G.gbs
- share/erkale-pseudopotentials/basis/6ZP-DKH.gbs
- share/erkale-pseudopotentials/basis/6ZP.gbs
- share/erkale-pseudopotentials/basis/A5ZP.gbs
- share/erkale-pseudopotentials/basis/ADZP.gbs
- share/erkale-pseudopotentials/basis/AHGBS-5.gbs
- share/erkale-pseudopotentials/basis/AHGBS-7.gbs
- share/erkale-pseudopotentials/basis/AHGBS-9.gbs
- share/erkale-pseudopotentials/basis/AHGBSP1-5.gbs
- share/erkale-pseudopotentials/basis/AHGBSP1-7.gbs
- share/erkale-pseudopotentials/basis/AHGBSP1-9.gbs
- share/erkale-pseudopotentials/basis/AHGBSP2-5.gbs
- share/erkale-pseudopotentials/basis/AHGBSP2-7.gbs
- share/erkale-pseudopotentials/basis/AHGBSP2-9.gbs
- share/erkale-pseudopotentials/basis/AHGBSP3-5.gbs
- share/erkale-pseudopotentials/basis/AHGBSP3-7.gbs
- share/erkale-pseudopotentials/basis/AHGBSP3-9.gbs
- share/erkale-pseudopotentials/basis/ANO-RCC.gbs
- share/erkale-pseudopotentials/basis/AQZP.gbs
- share/erkale-pseudopotentials/basis/ATZP.gbs
- share/erkale-pseudopotentials/basis/DFO+_nrlmol.gbs
- share/erkale-pseudopotentials/basis/DFO_nrlmol.gbs
- share/erkale-pseudopotentials/basis/DZ.gbs
- share/erkale-pseudopotentials/basis/DZP-DKH.gbs
- share/erkale-pseudopotentials/basis/DZP.gbs
- share/erkale-pseudopotentials/basis/DZP_Dunning+diffuse.gbs
- share/erkale-pseudopotentials/basis/DZP_Dunning.gbs
- share/erkale-pseudopotentials/basis/DZVP.gbs
- share/erkale-pseudopotentials/basis/DZVP2.gbs
- share/erkale-pseudopotentials/basis/HGBS-5.gbs
- share/erkale-pseudopotentials/basis/HGBS-7.gbs
- share/erkale-pseudopotentials/basis/HGBS-9.gbs
- share/erkale-pseudopotentials/basis/HGBSP1-5.gbs
- share/erkale-pseudopotentials/basis/HGBSP1-7.gbs
- share/erkale-pseudopotentials/basis/HGBSP1-9.gbs
- share/erkale-pseudopotentials/basis/HGBSP2-5.gbs
- share/erkale-pseudopotentials/basis/HGBSP2-7.gbs
- share/erkale-pseudopotentials/basis/HGBSP2-9.gbs
- share/erkale-pseudopotentials/basis/HGBSP3-5.gbs
- share/erkale-pseudopotentials/basis/HGBSP3-7.gbs
- share/erkale-pseudopotentials/basis/HGBSP3-9.gbs
- share/erkale-pseudopotentials/basis/IGLO-II.gbs
- share/erkale-pseudopotentials/basis/IGLO-III.gbs
- share/erkale-pseudopotentials/basis/MG3S.gbs
- share/erkale-pseudopotentials/basis/MIDI.gbs
- share/erkale-pseudopotentials/basis/MINAO.gbs
- share/erkale-pseudopotentials/basis/MINI.gbs
- share/erkale-pseudopotentials/basis/QZP-DKH.gbs
- share/erkale-pseudopotentials/basis/QZP.gbs
- share/erkale-pseudopotentials/basis/RIJK.gbs
- share/erkale-pseudopotentials/basis/Roos-ADZ-ANO.gbs
- share/erkale-pseudopotentials/basis/Roos-ATZ-ANO.gbs
The first 100 are listed.
distinfo 1
| File | Size | SHA256 |
|---|---|---|
| susilehtola-erkale-g20220405-f005a9ed588d7b6fcda54648db16523419308cbd_GH0.tar.gz | 4.5624288e+07 | 70580f7c9e47c7daca55d5477dd5d40ce204250b5d42c8154fd5976460b07249 |
Commit history 0
No commits in the history this site was built from.