Tue, 31 Mar 2020 10:21:32 UTC

Information for build nwchem-7.0.0-6.fc33

ID1482756
Package Namenwchem
Version7.0.0
Release6.fc33
Epoch
Sourcegit+https://src.fedoraproject.org/rpms/nwchem.git#2bd8633c8c2ca9236f487f5d44b64cdafc93a244
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.
Built bymarcindulak
State complete
Volume DEFAULT
StartedThu, 26 Mar 2020 03:00:59 UTC
CompletedThu, 26 Mar 2020 10:00:50 UTC
Taskbuild (rawhide, /rpms/nwchem.git:2bd8633c8c2ca9236f487f5d44b64cdafc93a244)
Extra{'source': {'original_url': 'git+https://src.fedoraproject.org/rpms/nwchem.git#2bd8633c8c2ca9236f487f5d44b64cdafc93a244'}}
Tags
f33
RPMs
src
nwchem-7.0.0-6.fc33.src.rpm (info) (download)
aarch64
nwchem-7.0.0-6.fc33.aarch64.rpm (info) (download)
nwchem-mpich-7.0.0-6.fc33.aarch64.rpm (info) (download)
nwchem-openmpi-7.0.0-6.fc33.aarch64.rpm (info) (download)
nwchem-debuginfo-7.0.0-6.fc33.aarch64.rpm (info) (download)
nwchem-debugsource-7.0.0-6.fc33.aarch64.rpm (info) (download)
nwchem-mpich-debuginfo-7.0.0-6.fc33.aarch64.rpm (info) (download)
nwchem-openmpi-debuginfo-7.0.0-6.fc33.aarch64.rpm (info) (download)
armv7hl
nwchem-7.0.0-6.fc33.armv7hl.rpm (info) (download)
nwchem-mpich-7.0.0-6.fc33.armv7hl.rpm (info) (download)
nwchem-openmpi-7.0.0-6.fc33.armv7hl.rpm (info) (download)
nwchem-debuginfo-7.0.0-6.fc33.armv7hl.rpm (info) (download)
nwchem-debugsource-7.0.0-6.fc33.armv7hl.rpm (info) (download)
nwchem-mpich-debuginfo-7.0.0-6.fc33.armv7hl.rpm (info) (download)
nwchem-openmpi-debuginfo-7.0.0-6.fc33.armv7hl.rpm (info) (download)
i686
nwchem-7.0.0-6.fc33.i686.rpm (info) (download)
nwchem-mpich-7.0.0-6.fc33.i686.rpm (info) (download)
nwchem-openmpi-7.0.0-6.fc33.i686.rpm (info) (download)
nwchem-debuginfo-7.0.0-6.fc33.i686.rpm (info) (download)
nwchem-debugsource-7.0.0-6.fc33.i686.rpm (info) (download)
nwchem-mpich-debuginfo-7.0.0-6.fc33.i686.rpm (info) (download)
nwchem-openmpi-debuginfo-7.0.0-6.fc33.i686.rpm (info) (download)
noarch
nwchem-common-7.0.0-6.fc33.noarch.rpm (info) (download)
ppc64le
nwchem-7.0.0-6.fc33.ppc64le.rpm (info) (download)
nwchem-mpich-7.0.0-6.fc33.ppc64le.rpm (info) (download)
nwchem-openmpi-7.0.0-6.fc33.ppc64le.rpm (info) (download)
nwchem-debuginfo-7.0.0-6.fc33.ppc64le.rpm (info) (download)
nwchem-debugsource-7.0.0-6.fc33.ppc64le.rpm (info) (download)
nwchem-mpich-debuginfo-7.0.0-6.fc33.ppc64le.rpm (info) (download)
nwchem-openmpi-debuginfo-7.0.0-6.fc33.ppc64le.rpm (info) (download)
x86_64
nwchem-7.0.0-6.fc33.x86_64.rpm (info) (download)
nwchem-mpich-7.0.0-6.fc33.x86_64.rpm (info) (download)
nwchem-openmpi-7.0.0-6.fc33.x86_64.rpm (info) (download)
nwchem-debuginfo-7.0.0-6.fc33.x86_64.rpm (info) (download)
nwchem-debugsource-7.0.0-6.fc33.x86_64.rpm (info) (download)
nwchem-mpich-debuginfo-7.0.0-6.fc33.x86_64.rpm (info) (download)
nwchem-openmpi-debuginfo-7.0.0-6.fc33.x86_64.rpm (info) (download)
Logs
armv7hl
build.log
root.log
state.log
hw_info.log
mock_output.log
noarch_rpmdiff.json
x86_64
hw_info.log
state.log
build.log
root.log
mock_output.log
noarch_rpmdiff.json
ppc64le
build.log
hw_info.log
root.log
state.log
mock_output.log
noarch_rpmdiff.json
i686
hw_info.log
state.log
build.log
root.log
mock_output.log
noarch_rpmdiff.json
aarch64
root.log
hw_info.log
build.log
state.log
mock_output.log
noarch_rpmdiff.json
Changelog * Sun Mar 22 2020 Edoardo Aprà <edoardo.apra@gmail.com> - 7.0.0-6 - fix to get rid of HYDRA_DEBUG on mpich - drop rhel6 support * Wed Mar 18 2020 Edoardo Aprà <edoardo.apra@gmail.com> - 7.0.0-5 - switch to ga 5.7-2.3 - enabled arm, aarch64 and ppc64le architectures - removed libibverbs-devel, ncurses-devel, zlib-devel and readline-devel - perl-File-Basename rpm needed on fedora 33 - 32bit build needed for arm - added patch to fix solvation failures on ppc64le * Fri Mar 06 2020 Edoardo Aprà <edoardo.apra@gmail.com> - 7.0.0-4 - work-around for openmpi 4.0.1 segfault - skip tests for rhel6 mpich - fix for pspw when peigs is not available and scalapack is - fix for mcscf when peigs is not available and scalapack is - Using tarball from 7.0.0 official release * Wed Jan 29 2020 Fedora Release Engineering <releng@fedoraproject.org> - 7.0.0-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild * Tue Jan 21 2020 Marcin Dulak <Marcin.Dulak@gmail.com> - 7.0.0-2 - new upstream snapshot release * Fri Oct 04 2019 Marcin Dulak <Marcin.Dulak@gmail.com> - 7.0.0-1 - new upstream snapshot release * Fri Aug 30 2019 Marcin Dulak <Marcin.Dulak@gmail.com> - 6.8.2-1 - new upstream snapshot release - switch to python3 br on fedora >= 30 bug #1738065 * Thu Jul 25 2019 Fedora Release Engineering <releng@fedoraproject.org> - 6.8.1-11 - Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild * Mon Jun 03 2019 Marcin Dulak <Marcin.Dulak@gmail.com> - 6.8.1-10 - removal of tcsh br requires a patch https://github.com/nwchemgit/nwchem/issues/120 * Mon Jun 03 2019 Marcin Dulak <Marcin.Dulak@gmail.com> - 6.8.1-9 - remove br tcsh since it's orphaned in Fedora 30 * Fri May 17 2019 Marcin Dulak <Marcin.Dulak@gmail.com> - 6.8.1-8 - explicit mpi related requires on epel7/epel6 * Thu Feb 14 2019 Orion Poplawski <orion@nwra.com> - 6.8.1-7 - Rebuild for openmpi 3.1.3 * Fri Feb 01 2019 Fedora Release Engineering <releng@fedoraproject.org> - 6.8.1-6 - Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild * Sun Jul 15 2018 Marcin Dulak <Marcin.Dulak@gmail.com> - 6.8.1-6 - protect yourself from Fedora changing rpm macros: no python_version available in f29 * Fri Jul 13 2018 Fedora Release Engineering <releng@fedoraproject.org> - 6.8.1-5 - Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild * Thu Jun 28 2018 Edoardo Apra <edoardo.apra@gmail.com> - 6.8.1-4 - requires ga rpm version >= 5.6.5-1 * Fri Jun 15 2018 Marcin Dulak <Marcin.Dulak@gmail.com> - 6.8.1-3 - minor cleanup - br libibverbs-devel * Thu Jun 14 2018 Edoardo Apra <edoardo.apra@gmail.com> - 6.8.1-2 - 6.8.1 release tarball * Thu Jun 14 2018 Marcin Dulak <Marcin.Dulak@gmail.com> - 6.8.1-1 - upstream update, sources are at github now - drop el6 support * Fri Jun 08 2018 Marcin Dulak <Marcin.Dulak@gmail.com> - 6.6.27746-34 - patch https://github.com/nwchemgit/nwchem/issues/41