| ID | 2072405 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Package Name | libint | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Version | 1.2.1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Release | 16.el8 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Epoch | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Source | git+https://src.fedoraproject.org/rpms/libint.git#c5841e4675c64c6df92e8c079ec2bb4a6cbbdfd4 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Summary | A library for computing electron repulsion integrals efficiently | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Description | LIBINT computes the Coulomb and exchange integrals, which in electronic structure theory are called electron repulsion integrals (ERIs). This is by far the most common type of integrals in molecular structure theory. LIBINT uses recursive schemes that originate in seminal Obara-Saika method and Head-Gordon and Pople’s variation thereof. The idea of LIBINT is to optimize computer implementation of such methods by implementing an optimizing compiler to generate automatically highly-specialized code that runs well on super-scalar architectures. | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Built by | jussilehtola | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| State | complete | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Volume | prod | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Started | Fri, 07 Oct 2022 14:03:07 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Completed | Fri, 07 Oct 2022 15:59:44 UTC | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Task | build (epel8-candidate, /rpms/libint.git:c5841e4675c64c6df92e8c079ec2bb4a6cbbdfd4) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Extra | {'source': {'original_url': 'git+https://src.fedoraproject.org/rpms/libint.git#c5841e4675c64c6df92e8c079ec2bb4a6cbbdfd4'}} | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Tags |
|
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| RPMs |
|
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Logs | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Changelog | * Thu Jul 21 2022 Fedora Release Engineering <releng@fedoraproject.org> - 1.2.1-16 - Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild * Thu Jan 20 2022 Fedora Release Engineering <releng@fedoraproject.org> - 1.2.1-15 - Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild * Thu Jul 22 2021 Fedora Release Engineering <releng@fedoraproject.org> - 1.2.1-14 - Rebuilt for https://fedoraproject.org/wiki/Fedora_35_Mass_Rebuild * Tue Jan 26 2021 Fedora Release Engineering <releng@fedoraproject.org> - 1.2.1-13 - Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild * Sat Aug 01 2020 Fedora Release Engineering <releng@fedoraproject.org> - 1.2.1-12 - Second attempt - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild * Tue Jul 28 2020 Fedora Release Engineering <releng@fedoraproject.org> - 1.2.1-11 - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild * Wed Jan 29 2020 Fedora Release Engineering <releng@fedoraproject.org> - 1.2.1-10 - Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild * Thu Jul 25 2019 Fedora Release Engineering <releng@fedoraproject.org> - 1.2.1-9 - Rebuilt for https://fedoraproject.org/wiki/Fedora_31_Mass_Rebuild * Fri Feb 01 2019 Fedora Release Engineering <releng@fedoraproject.org> - 1.2.1-8 - Rebuilt for https://fedoraproject.org/wiki/Fedora_30_Mass_Rebuild * Fri Jul 13 2018 Fedora Release Engineering <releng@fedoraproject.org> - 1.2.1-7 - Rebuilt for https://fedoraproject.org/wiki/Fedora_29_Mass_Rebuild * Wed Feb 28 2018 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.2.1-6 - Added gcc and gcc-c++ buildrequires. * Wed Feb 07 2018 Fedora Release Engineering <releng@fedoraproject.org> - 1.2.1-5 - Rebuilt for https://fedoraproject.org/wiki/Fedora_28_Mass_Rebuild * Thu Aug 03 2017 Fedora Release Engineering <releng@fedoraproject.org> - 1.2.1-4 - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Binutils_Mass_Rebuild * Wed Jul 26 2017 Fedora Release Engineering <releng@fedoraproject.org> - 1.2.1-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_27_Mass_Rebuild * Wed May 17 2017 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.2.1-2 - Patch to make sonames same as before (no functional changes in 1.2 series). * Wed May 17 2017 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.2.1-1 - Update to 1.2.1, changing the license from GPL to LGPL. * Fri Feb 10 2017 Fedora Release Engineering <releng@fedoraproject.org> - 1.1.6-10 - Rebuilt for https://fedoraproject.org/wiki/Fedora_26_Mass_Rebuild * Fri Jul 08 2016 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.1.6-9 - Modify progman build dependencies. * Thu Feb 04 2016 Fedora Release Engineering <releng@fedoraproject.org> - 1.1.6-8 - Rebuilt for https://fedoraproject.org/wiki/Fedora_24_Mass_Rebuild * Sun Sep 13 2015 Peter Robinson <pbrobinson@fedoraproject.org> 1.1.6-7 - Rebuild (aarch64) * Wed Jun 17 2015 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.1.6-6 - Rebuilt for https://fedoraproject.org/wiki/Fedora_23_Mass_Rebuild * Mon May 04 2015 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.1.6-5 - Fix FTBFS caused by libtool version mismatch. * Tue Sep 09 2014 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.1.6-4 - Provide %_libint_apiversion instead of %_libint_version. * Sun Aug 17 2014 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.1.6-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_21_22_Mass_Rebuild * Sat Jun 07 2014 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.1.6-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_21_Mass_Rebuild * Sun Mar 09 2014 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.1.6-1 - Update to 1.1.6. * Mon Feb 03 2014 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.1.5-4 - Use proper macro for rpm macro dir. * Sun Dec 22 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.1.5-3 - Increase maximum angular momentum (BZ #1045781), but limit optimized one. - Use -O1 level of optimization on all architectures. - Patch for -Werror=format-security (BZ #1037165). * Sat Aug 03 2013 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.1.5-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_20_Mass_Rebuild * Wed May 15 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.1.5-1 - Update to 1.1.5, bringing aarch64 support. * Tue Feb 19 2013 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.1.4-11 - Fix FTBFS in rawhide. * Thu Feb 14 2013 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.1.4-10 - Rebuilt for https://fedoraproject.org/wiki/Fedora_19_Mass_Rebuild * Wed Jul 25 2012 Jussi Lehtola <jussilehtola@fedoraproject.org> - 1.1.4-9 - Increased libint-max-am from 6 to 7 and libr12-max-am from 5 to 6. * Thu Jul 19 2012 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.1.4-8 - Rebuilt for https://fedoraproject.org/wiki/Fedora_18_Mass_Rebuild * Sat Jan 28 2012 Dan Horák <dan[at]danny.cz> - 1.1.4-7 - drop the s390 workaround, gcc 4.7 seems to work correctly * Fri Jan 13 2012 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.1.4-6 - Rebuilt for https://fedoraproject.org/wiki/Fedora_17_Mass_Rebuild * Tue Feb 08 2011 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.1.4-5 - Rebuilt for https://fedoraproject.org/wiki/Fedora_15_Mass_Rebuild * Mon Dec 13 2010 Dan Horák <dan[at]danny.cz> - 1.1.4-4 - workaround memory exhaustion on s390 * Tue Nov 30 2010 Jussi Lehtola <jussilehtola@fedoraproject.org> - 1.1.4-3 - Increase maximum angular momentum values by 2, making it possible to use basis sets that use up to I-type functions, such as Dunning's cc-pVXZ basis sets. - Split libderiv and libr12 into their own packages, as e.g. PyQuante currently only needs the libint library. * Fri Jul 24 2009 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 1.1.4-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_12_Mass_Rebuild * Tue May 26 2009 Jussi Lehtola <jussilehtola@fedoraproject.org> - 1.1.4-1 - First release. |