Information for RPM nwchem-7.2.3-4.rvre0.fc42.src.rpm

ID51080
Buildnwchem-7.2.3-4.rvre0.fc42
Namenwchem
Version7.2.3
Release4.rvre0.fc42
Epoch
Archsrc
DraftFalse
SummaryDelivering High-Performance Computational Chemistry to Science
Description NWChem aims to provide its users with computational chemistry tools that are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters. Please cite the following reference when publishing results obtained with NWChem: M. Valiev, E.J. Bylaska, N. Govind, K. Kowalski, T.P. Straatsma, H.J.J. van Dam, D. Wang, J. Nieplocha, E. Apra, T.L. Windus, W.A. de Jong, "NWChem: a comprehensive and scalable open-source solution for large scale molecular simulations" Comput. Phys. Commun. 181, 1477 (2010) There is currently no serial version built.
Build Time2025-03-28 20:27:25 GMT
Size197.87 MB
342dffeb4ec073c42c85c40ebe060cf9
LicenseECL-2.0
Provides
nwchem = 7.2.3-4.rvre0.fc42
nwchem-common = 7.2.3-4.rvre0.fc42
nwchem-mpich = 7.2.3-4.rvre0.fc42
nwchem-openmpi = 7.2.3-4.rvre0.fc42
Obsoletes No Obsoletes
Conflicts No Conflicts
Requires
environment-modules
flexiblas-devel
flexiblas-openblas-openmp
ga-mpich-devel >= 5.8.2-1
ga-openmpi-devel >= 5.8.2-1
gcc-gfortran
hostname
libxc-devel
make
mpich-devel
openmpi-devel
openssh-clients
patch
perl-File-Basename
perl-interpreter
python3-devel
rpmlib(CompressedFileNames) <= 3.0.4-1
rpmlib(FileDigests) <= 4.6.0-1
time
Recommends No Recommends
Suggests No Suggests
Supplements No Supplements
Enhances No Enhances
Files
1 through 3 of 3
Name ascending sort Size
8701f25ad941a4237cdd5a843b6d569f5b3fff1d.tar.gz203.40 MB
nwchem-7.2.3-hdbm.c.patch652.00 B
nwchem.spec30.41 KB
Component of No Buildroots