Tue, 22 Jun 2021 21:40:19 UTC

Information for build nwchem-7.0.2-4.fc33

ID1645954
Package Namenwchem
Version7.0.2
Release4.fc33
Epoch
Sourcegit+https://src.fedoraproject.org/rpms/nwchem.git#a466fc32984cbdd607127285ee8211875ad5c878
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 Nov 2020 15:07:08 UTC
CompletedThu, 26 Nov 2020 22:55:34 UTC
Taskbuild (f33-candidate, /rpms/nwchem.git:a466fc32984cbdd607127285ee8211875ad5c878)
Extra{'source': {'original_url': 'git+https://src.fedoraproject.org/rpms/nwchem.git#a466fc32984cbdd607127285ee8211875ad5c878'}}
Tags
f33-updates
RPMs
src
nwchem-7.0.2-4.fc33.src.rpm (info) (download)
aarch64
nwchem-7.0.2-4.fc33.aarch64.rpm (info) (download)
nwchem-mpich-7.0.2-4.fc33.aarch64.rpm (info) (download)
nwchem-openmpi-7.0.2-4.fc33.aarch64.rpm (info) (download)
nwchem-debuginfo-7.0.2-4.fc33.aarch64.rpm (info) (download)
nwchem-debugsource-7.0.2-4.fc33.aarch64.rpm (info) (download)
nwchem-mpich-debuginfo-7.0.2-4.fc33.aarch64.rpm (info) (download)
nwchem-openmpi-debuginfo-7.0.2-4.fc33.aarch64.rpm (info) (download)
armv7hl
nwchem-7.0.2-4.fc33.armv7hl.rpm (info) (download)
nwchem-mpich-7.0.2-4.fc33.armv7hl.rpm (info) (download)
nwchem-openmpi-7.0.2-4.fc33.armv7hl.rpm (info) (download)
nwchem-debuginfo-7.0.2-4.fc33.armv7hl.rpm (info) (download)
nwchem-debugsource-7.0.2-4.fc33.armv7hl.rpm (info) (download)
nwchem-mpich-debuginfo-7.0.2-4.fc33.armv7hl.rpm (info) (download)
nwchem-openmpi-debuginfo-7.0.2-4.fc33.armv7hl.rpm (info) (download)
i686
nwchem-7.0.2-4.fc33.i686.rpm (info) (download)
nwchem-mpich-7.0.2-4.fc33.i686.rpm (info) (download)
nwchem-openmpi-7.0.2-4.fc33.i686.rpm (info) (download)
nwchem-debuginfo-7.0.2-4.fc33.i686.rpm (info) (download)
nwchem-debugsource-7.0.2-4.fc33.i686.rpm (info) (download)
nwchem-mpich-debuginfo-7.0.2-4.fc33.i686.rpm (info) (download)
nwchem-openmpi-debuginfo-7.0.2-4.fc33.i686.rpm (info) (download)
noarch
nwchem-common-7.0.2-4.fc33.noarch.rpm (info) (download)
ppc64le
nwchem-7.0.2-4.fc33.ppc64le.rpm (info) (download)
nwchem-mpich-7.0.2-4.fc33.ppc64le.rpm (info) (download)
nwchem-openmpi-7.0.2-4.fc33.ppc64le.rpm (info) (download)
nwchem-debuginfo-7.0.2-4.fc33.ppc64le.rpm (info) (download)
nwchem-debugsource-7.0.2-4.fc33.ppc64le.rpm (info) (download)
nwchem-mpich-debuginfo-7.0.2-4.fc33.ppc64le.rpm (info) (download)
nwchem-openmpi-debuginfo-7.0.2-4.fc33.ppc64le.rpm (info) (download)
x86_64
nwchem-7.0.2-4.fc33.x86_64.rpm (info) (download)
nwchem-mpich-7.0.2-4.fc33.x86_64.rpm (info) (download)
nwchem-openmpi-7.0.2-4.fc33.x86_64.rpm (info) (download)
nwchem-debuginfo-7.0.2-4.fc33.x86_64.rpm (info) (download)
nwchem-debugsource-7.0.2-4.fc33.x86_64.rpm (info) (download)
nwchem-mpich-debuginfo-7.0.2-4.fc33.x86_64.rpm (info) (download)
nwchem-openmpi-debuginfo-7.0.2-4.fc33.x86_64.rpm (info) (download)
Logs
armv7hl
root.log
state.log
build.log
hw_info.log
mock_output.log
noarch_rpmdiff.json
i686
hw_info.log
state.log
build.log
root.log
mock_output.log
noarch_rpmdiff.json
x86_64
hw_info.log
state.log
build.log
root.log
mock_output.log
noarch_rpmdiff.json
aarch64
build.log
root.log
state.log
hw_info.log
mock_output.log
noarch_rpmdiff.json
ppc64le
build.log
state.log
root.log
hw_info.log
mock_output.log
noarch_rpmdiff.json
Changelog * Tue Nov 24 2020 Marcin Dulak <Marcin.Dulak@gmail.com> - 7.0.2-4 - Patch for Python 3.10 - Compile with USE_NOIO=TRUE https://github.com/nwchemgit/nwchem/issues/272 * Sat Nov 21 2020 Marcin Dulak <Marcin.Dulak@gmail.com> - 7.0.2-3 - Replace OMP_NUM_THREADS=1 with FLEXIBLAS=openblas-serial to restore https://src.fedoraproject.org/rpms/flexiblas/c/4286c061697330a8d30d2cd3a1d20f018da81258 - Replace mentions of the old website with nwchemgit.github.io * Mon Oct 19 2020 Marcin Dulak <Marcin.Dulak@gmail.com> - 7.0.2-2 - Set OMP_NUM_THREADS=1 https://github.com/edoapra/fedpkg/issues/10#issuecomment-699276160 - Fix hostname br for el6 * Thu Oct 15 2020 Edoardo Aprà <edoardo.apra@gmail.com> - 7.0.2-1 - new 7.0.2 release * Fri Aug 28 2020 Iñaki Úcar <iucar@fedoraproject.org> - 7.0.0-11 - https://fedoraproject.org/wiki/Changes/FlexiBLAS_as_BLAS/LAPACK_manager * Tue Jul 28 2020 Fedora Release Engineering <releng@fedoraproject.org> - 7.0.0-10 - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild * Tue May 26 2020 Miro Hrončok <mhroncok@redhat.com> - 7.0.0-9 - Rebuilt for Python 3.9 * Thu Apr 02 2020 Björn Esser <besser82@fedoraproject.org> - 7.0.0-8 - Fix string quoting for rpm >= 4.16 * Sat Mar 28 2020 Edoardo Aprà <edoardo.apra@gmail.com> - 7.0.0-7 - nproc=1 for mpich/ppc64le * 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