BSD Ports

science/nwchem-data 7.3.1 FreeBSD

Data for NWChem, the computational chemistry software

System
FreeBSD
Repository
FreeBSD ports
Maintainer
[email protected]
License
ECL20
Categories
science
Package size
6006.1 KiB, 46982.0 KiB installed

Description

The data package for NWChem, the quantum chemistry software.

Data contains basis sets descriptions, pseudopotentials, various related data libraries needed for NWChem operation.

In the other systems

SystemPortVersion
FreeBSDscience/nwchem-data7.3.1
DragonFlyscience/nwchem-data7.2.3
HardenedBSDscience/nwchem-data7.3.1
GhostBSDscience/nwchem-data7.3.1

Install

Binary package:

pkg install nwchem-data

From the ports tree:

cd /usr/ports/science/nwchem-data/ && make install clean

To depend on this port in another port's Makefile:

RUN_DEPENDS=	nwchem-data>0:science/nwchem-data

Packages

The version each package repository carries. “-” means the repository builds no package of it, “n/a” that there is no such repository.

Repositoryaarch64amd64armv6armv7i386
FreeBSD:14:latest7.3.17.3.17.0.27.2.37.3.1
FreeBSD:14:quarterly7.3.17.3.1n/a7.2.37.3.1
FreeBSD:15:latest7.3.17.3.1n/a7.2.37.2.3
FreeBSD:15:quarterly7.3.17.3.1n/an/an/a
FreeBSD:16:latest7.3.17.3.1n/an/an/a
FreeBSD:16:quarterlyn/an/an/an/an/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 1474
  • share/nwchem-data/data/amber_q/ABE.frg
  • share/nwchem-data/data/amber_q/BNZ.frg
  • share/nwchem-data/data/amber_q/BTH.frg
  • share/nwchem-data/data/amber_q/BTH.sgm
  • share/nwchem-data/data/amber_q/BTO.frg
  • share/nwchem-data/data/amber_q/BTO.sgm
  • share/nwchem-data/data/amber_q/BUT.frg
  • share/nwchem-data/data/amber_q/BUT.sgm
  • share/nwchem-data/data/amber_q/CA.frg
  • share/nwchem-data/data/amber_q/CTR.frg
  • share/nwchem-data/data/amber_q/Ca.sgm
  • share/nwchem-data/data/amber_q/DTT.frg
  • share/nwchem-data/data/amber_q/EAM.frg
  • share/nwchem-data/data/amber_q/FUC.sgm
  • share/nwchem-data/data/amber_q/G31.frg
  • share/nwchem-data/data/amber_q/G61.frg
  • share/nwchem-data/data/amber_q/G64.frg
  • share/nwchem-data/data/amber_q/GA1.frg
  • share/nwchem-data/data/amber_q/GA2.frg
  • share/nwchem-data/data/amber_q/GA3.frg
  • share/nwchem-data/data/amber_q/GA3.sgm
  • share/nwchem-data/data/amber_q/GAL.frg
  • share/nwchem-data/data/amber_q/GAO.frg
  • share/nwchem-data/data/amber_q/GC1.frg
  • share/nwchem-data/data/amber_q/GC2.frg
  • share/nwchem-data/data/amber_q/GC2.sgm
  • share/nwchem-data/data/amber_q/GC3.sgm
  • share/nwchem-data/data/amber_q/GCN.frg
  • share/nwchem-data/data/amber_q/GDP.frg
  • share/nwchem-data/data/amber_q/GL1.frg
  • share/nwchem-data/data/amber_q/GL2.frg
  • share/nwchem-data/data/amber_q/GL3.frg
  • share/nwchem-data/data/amber_q/GL4.frg
  • share/nwchem-data/data/amber_q/GL4.sgm
  • share/nwchem-data/data/amber_q/GL5.frg
  • share/nwchem-data/data/amber_q/GL5.sgm
  • share/nwchem-data/data/amber_q/GL6.frg
  • share/nwchem-data/data/amber_q/GL6.sgm
  • share/nwchem-data/data/amber_q/GL7.frg
  • share/nwchem-data/data/amber_q/GL7.sgm
  • share/nwchem-data/data/amber_q/GL8.sgm
  • share/nwchem-data/data/amber_q/GLT.sgm
  • share/nwchem-data/data/amber_q/GNP.frg
  • share/nwchem-data/data/amber_q/GTL.sgm
  • share/nwchem-data/data/amber_q/GTP.frg
  • share/nwchem-data/data/amber_q/HDH.frg
  • share/nwchem-data/data/amber_q/HDH.sgm
  • share/nwchem-data/data/amber_q/HDO.frg
  • share/nwchem-data/data/amber_q/HDO.sgm
  • share/nwchem-data/data/amber_q/HED.sgm
  • share/nwchem-data/data/amber_q/HEM.frg
  • share/nwchem-data/data/amber_q/HEP.frg
  • share/nwchem-data/data/amber_q/HEP.sgm
  • share/nwchem-data/data/amber_q/HP1.frg
  • share/nwchem-data/data/amber_q/HP2.frg
  • share/nwchem-data/data/amber_q/HP3.frg
  • share/nwchem-data/data/amber_q/HP4.frg
  • share/nwchem-data/data/amber_q/HP4.sgm
  • share/nwchem-data/data/amber_q/HP5.frg
  • share/nwchem-data/data/amber_q/HP5.sgm
  • share/nwchem-data/data/amber_q/HPD.frg
  • share/nwchem-data/data/amber_q/HXO.frg
  • share/nwchem-data/data/amber_q/IPS.frg
  • share/nwchem-data/data/amber_q/KD1.frg
  • share/nwchem-data/data/amber_q/KD2.frg
  • share/nwchem-data/data/amber_q/KD3.frg
  • share/nwchem-data/data/amber_q/KD4.frg
  • share/nwchem-data/data/amber_q/KD4.sgm
  • share/nwchem-data/data/amber_q/KD5.frg
  • share/nwchem-data/data/amber_q/KD5.sgm
  • share/nwchem-data/data/amber_q/KDN.frg
  • share/nwchem-data/data/amber_q/LCX.frg
  • share/nwchem-data/data/amber_q/LPO.sgm
  • share/nwchem-data/data/amber_q/MA2.sgm
  • share/nwchem-data/data/amber_q/MA3.sgm
  • share/nwchem-data/data/amber_q/MA4.sgm
  • share/nwchem-data/data/amber_q/MAN.frg
  • share/nwchem-data/data/amber_q/NH4.frg
  • share/nwchem-data/data/amber_q/NTR.frg
  • share/nwchem-data/data/amber_q/Na.sgm
  • share/nwchem-data/data/amber_q/O4P.frg
  • share/nwchem-data/data/amber_q/PET.frg
  • share/nwchem-data/data/amber_q/PET.sgm
  • share/nwchem-data/data/amber_q/PNT.frg
  • share/nwchem-data/data/amber_q/PO4.frg
  • share/nwchem-data/data/amber_q/PO4.sgm
  • share/nwchem-data/data/amber_q/PPO.frg
  • share/nwchem-data/data/amber_q/RH2.frg
  • share/nwchem-data/data/amber_q/RH2.sgm
  • share/nwchem-data/data/amber_q/RH3.sgm
  • share/nwchem-data/data/amber_q/RHA.frg
  • share/nwchem-data/data/amber_q/SEP.frg
  • share/nwchem-data/data/amber_q/SO4.frg
  • share/nwchem-data/data/amber_q/TPO.frg
  • share/nwchem-data/data/amber_q/amber.par
  • share/nwchem-data/data/amber_q/coc.frg
  • share/nwchem-data/data/amber_q/etl.frg
  • share/nwchem-data/data/amber_q/ions.par
  • share/nwchem-data/data/amber_q/lps_Pa/BTH.frg
  • share/nwchem-data/data/amber_q/lps_Pa/BTH.sgm

The first 100 are listed.

distinfo 1
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Commit history 0

No commits in the history this site was built from.