python3-pyscf-2.14.0-2.fc45 in Fedora Rawhide
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Package Info (Data from x86_64 build)
🠗 Changelog
🠗 Dependencies
🠗 Provides
🠗 Files
Changelog
| Date | Author | Change |
|---|---|---|
| 2026-08-01 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 2.14.0-2 | - Enable tests, patching the suite to pass with qcint and FlexiBLAS. - Fix a stack buffer overflow in the Dirac-Hartree-Fock (SS|LL) J/K build. - Read the FCI test Hamiltonian in the native byte order, since the solvers reject the little-endian arrays h5py hands out on big-endian machines. - Loosen the DKS veff fingerprints, whose reference values depend on how libxc rounds the correlation potential in the fully polarized limit, and drop the EA-CCSD* assertion that divides by a vanishing left-right overlap. |
| 2026-07-30 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 2.14.0-1 | - Update to 2.14.0. |
| 2026-07-22 | Python Maint <python dash maint at redhat dot com> - 2.13.0-4 | - Rebuilt for Python 3.15.0b4 ABI change |
| 2026-07-16 | Fedora Release Engineering <releng at fedoraproject dot org> - 2.13.0-3 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_45_Mass_Rebuild |
| 2026-06-04 | Python Maint <python dash maint at redhat dot com> - 2.13.0-2 | - Rebuilt for Python 3.15 |
| 2026-04-22 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 2.13.0-1 | - Update to 2.13.0. |
| 2026-02-04 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 2.12.1-1 | - Update to 2.12.1. |
| 2026-02-02 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 2.12.0-3 | - Add missing basis set metadata. |
| 2026-01-22 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 2.12.0-2 | - Filter out dependency on internal library. |
| 2026-01-21 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 2.12.0-1 | - Update to 2.12.0. |
Dependencies
Provides
- python-pyscf
- python3-pyscf
- python3-pyscf(x86-64)
- python3.15-pyscf
Files
- usr/
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- test_selected_ci.py
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- basis/
- Burkatzi-Filippi-Dolg-PP.dat
- DgaussA1_dft_cfit.dat
- DgaussA1_dft_xfit.dat
- DgaussA2_dft_cfit.dat
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- adzp.dat
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- aug-cc-pVDZ-PP.dat
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- aug-cc-pwcvdz.dat
- aug-cc-pwcvqz.dat
- aug-cc-pwcvtz.dat
- aug-pc-0.dat
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- aug-pc-2.dat
- aug-pc-3.dat
- aug-pc-4.dat
- aug-pcseg-0.dat
- aug-pcseg-1.dat
- aug-pcseg-2.dat
- aug-pcseg-3.dat
- aug-pcseg-4.dat
- bfd_pp.dat
- bfd_v5z.dat
- bfd_vdz.dat
- bfd_vqz.dat
- bfd_vtz.dat
- bse.py
- bse_meta.json
- cc-pCV5Z.dat
- cc-pCV6Z.dat
- cc-pCVDZ.dat
- cc-pCVQZ.dat
- cc-pCVTZ.dat
- cc-pV5Z_MP2FIT.dat
- cc-pVDZ-PP-NR.dat
- cc-pVQZ-DK3.dat
- cc-pVQZ_MP2FIT.dat
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- cc-pv5z-dk.dat
- cc-pv5z-jkfit.dat
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- ccecp-basis/
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- ccECP_He_core/
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- ccECP_cc-pVTZ.dat
- ccECP/
- crenbl.dat
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- crystal-cc-pvdz.dat
- def2-mtzvp.dat
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- def2-qzvp-ri.dat
- def2-qzvp.dat
- def2-qzvpd.dat
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- def2-svpd.dat
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- def2-tzvpd.dat
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- def2-tzvpp.dat
- def2-tzvppd-ri.dat
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- demon_cfit.dat
- dyall-basis/
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- dyall_v4z.cpython-315.pyc
- dyall_2zp.py
- dyall_3zp.py
- dyall_4zp.py
- dyall_aae2z.py
- dyall_aae3z.py
- dyall_aae4z.py
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- dks.py
- ghf.py
- gks.py
- rhf.py
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