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Package Details: nwchem-bin 7.0.2.1-1

Package Actions

Git Clone URL:	https://aur.archlinux.org/nwchem-bin.git (read-only, click to copy)
Package Base:	nwchem-bin
Description:	Open Source High-Performance Computational Chemistry (Debian binary build)
Upstream URL:	http://www.nwchem-sw.org
Licenses:	GPL3, custom:ECL2.0
Conflicts:	nwchem
Provides:	nwchem
Submitter:	berquist
Maintainer:	berquist
Last Packager:	berquist
Votes:	3
Popularity:	0.000000
First Submitted:	2016-03-22 15:29 (UTC)
Last Updated:	2022-06-04 17:14 (UTC)

Dependencies (5)

lapack (aocl-libflame-aocc^AUR, aocl-libflame^AUR, blas-mkl^AUR, lapack-git^AUR, atlas-lapack^AUR, blas-aocl-gcc^AUR, blas-aocl-aocc^AUR, openblas-lapack^AUR, blas-openblas)
nwchem-data^AUR
openmpi (openmpi-git^AUR)
python2^AUR (python2-bin^AUR)
scalapack^AUR

Required by (1)

python-qcengine (requires nwchem) (optional)

Sources (1)

http://ftp.us.debian.org/debian/pool/main/n/nwchem/nwchem_7.0.2-1_amd64.deb

Latest Comments

berquist commented on 2016-10-05 12:17 (UTC)

Well, fixed in the package download sense. It looks like they've linked this against OpenMPI 2.0, which has been flagged out-of-date on the main package list.

berquist commented on 2016-10-02 14:22 (UTC)

Fixed.

hcar commented on 2016-10-02 08:19 (UTC)

The build fails, because the file name on the ftp server changed.