python3-pyscf-1.7.6-1.fc34 in Fedora 34
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Package Info (Data from x86_64 build)
🠗 Changelog
🠗 Dependencies
🠗 Provides
🠗 Files
Changelog
| Date | Author | Change |
|---|---|---|
| 2021-03-29 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 1.7.6-1 | - Update to 1.7.6. |
| 2021-01-27 | Fedora Release Engineering <releng at fedoraproject dot org> - 1.7.5-2 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild |
| 2020-10-05 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 1.7.5-1 | - Update to 1.7.5. |
| 2020-08-16 | Iñaki Úcar <iucar at fedoraproject dot org> - 1.7.4-2 | - https://fedoraproject.org/wiki/Changes/FlexiBLAS_as_BLAS/LAPACK_manager |
| 2020-08-03 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 1.7.4-1 | - Adapt to updated CMake scripts. - Update to 1.7.4. |
| 2020-08-01 | Fedora Release Engineering <releng at fedoraproject dot org> - 1.7.3-3 | - Second attempt - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild |
| 2020-07-29 | Fedora Release Engineering <releng at fedoraproject dot org> - 1.7.3-2 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild |
| 2020-06-11 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 1.7.3-1 | - Update to 1.7.3. |
| 2020-05-26 | Miro Hrončok <mhroncok at redhat dot com> - 1.7.2-2 | - Rebuilt for Python 3.9 |
| 2020-05-14 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 1.7.2-1 | - Update to 1.7.2. |
Dependencies
Provides
- python-pyscf
- python3-pyscf
- python3-pyscf(x86-64)
- python3.9-pyscf
Files
- usr/
- lib/
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- iglo3.cpython-39.opt-1.pyc
- iglo3.cpython-39.pyc
- minao.cpython-39.opt-1.pyc
- minao.cpython-39.pyc
- parse_bfd_pp.cpython-39.opt-1.pyc
- parse_bfd_pp.cpython-39.pyc
- parse_gaussian.cpython-39.opt-1.pyc
- parse_gaussian.cpython-39.pyc
- parse_molpro.cpython-39.opt-1.pyc
- parse_molpro.cpython-39.pyc
- parse_nwchem.cpython-39.opt-1.pyc
- parse_nwchem.cpython-39.pyc
- adzp.dat
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- aug-pcseg-0.dat
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- aug-pcseg-2.dat
- aug-pcseg-3.dat
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- bfd_pp.dat
- bfd_v5z.dat
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- bfd_vtz.dat
- cc-pCV5Z.dat
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- cc-pV5Z_MP2FIT.dat
- cc-pVDZ-PP-NR.dat
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- ccecp-basis/
- ccECP/
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- ccECP_aug-cc-pVDZ.dat
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- ccECP_He_core/
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- ccECP/
- crenbl.dat
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- def2-qzvp-ri.dat
- def2-qzvp.dat
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- def2-svp.dat
- def2-svpd-ri.dat
- def2-svpd.dat
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- def2-tzvp.dat
- def2-tzvpd-ri.dat
- def2-tzvpd.dat
- def2-tzvpp-ri.dat
- def2-tzvpp.dat
- def2-tzvppd-ri.dat
- def2-tzvppd.dat
- def2-universal-jfit.dat
- def2-universal-jkfit.dat
- demon_cfit.dat
- dyall_dz.py
- dyall_qz.py
- dyall_tz.py
- dz.dat
- dzp-dkh.dat
- dzp.dat
- dzp_dunning.py
- dzvp.dat
- dzvp2.dat
- f12-basis/
- aug-cc-pV5Z-OptRI.dat
- aug-cc-pVDZ-OptRI.dat
- aug-cc-pVQZ-OptRI.dat
- aug-cc-pVTZ-OptRI.dat
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- faegre_dz.py
- heavy-aug-cc-pvdz-jkfit.dat
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- iglo3.py
- lanl08.dat
- lanl2dz.dat
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- minao.py
- parse_bfd_pp.py
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- pc-0.dat
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- ao_log.py
- basis/
- cc-pv5z-l2.dat
- cc-pvdz-l2.dat
- cc-pvqz-l2.dat
- cc-pvtz-l2.dat
- bse_iter.py
- chi0_matvec.py
- coords2sort_order.py
- examples/
- psf/
- __pycache__/
- download_psf.cpython-39.opt-1.pyc
- download_psf.cpython-39.pyc
- download_psf.py
- __pycache__/
- psf/
- gw.py
- gw_iter.py
- log_mesh.py
- lsofcsr.py
- m_ao_eval.py
- m_ao_eval_libnao.py
- m_ao_log.py
- m_ao_log_hartree.py
- m_ao_matelem.py
- m_aos_libnao.py
- m_blas_wrapper.py
- m_c2r.py
- m_chi0_noxv.py
- m_color.py
- m_comp_coulomb_den.py
- m_comp_coulomb_pack.py
- m_comp_dm.py
- m_comp_spatial_distributions.py
- m_comp_spatial_numba.py
- m_comp_vext_tem.py
- m_comp_vext_tem_numba.py
- m_conv_ac_dp.py
- m_conv_yzx2xyz.py
- m_coulomb_am.py
- m_csphar.py
- m_csphar_talman_libnao.py
- m_dens_elec_vec.py
- m_dens_libnao.py
- m_density_cart.py
- m_dipole_coo.py
- m_dipole_ni.py
- m_div_eigenenergy_cuda.py
- m_div_eigenenergy_numba.py
- m_dm.py
- m_dos_pdos_eigenvalues.py
- m_dos_pdos_ldos.py
- m_eri2c.py
- m_eri3c.py
- m_exc.py
- m_fact.py
- m_fermi_dirac.py
- m_fermi_energy.py
- m_fft.py
- m_fireball_get_HS_dat.py
- m_fireball_get_cdcoeffs_dat.py
- m_fireball_get_eigen_dat.py
- m_fireball_hsx.py
- m_fireball_import.py
- m_g297.py
- m_gauleg.py
- m_gaunt.py
- m_get_atom2bas_s.py
- m_get_sp_mu2s.py
- m_gpaw_hsx.py
- m_gpaw_wfsx.py
- m_init_dens_libnao.py
- m_init_dm_libnao.py
- m_init_sab2dm_libnao.py
- m_ion_log.py
- m_kmat_den.py
- m_laplace_am.py
- m_libnao.py
- m_local_vertex.py
- m_log_interp.py
- m_log_mesh.py
- m_lorentzian.py
- m_ls_contributing.py
- m_ls_part_centers.py
- m_next235.py
- m_numba_utils.py
- m_openmx_import_scfout.py
- m_openmx_mat.py
- m_overlap_am.py
- m_overlap_coo.py
- m_overlap_lil.py
- m_overlap_ni.py
- m_pack2den.py
- m_pb_ae.py
- m_phonons.py
- m_polariz_inter_ave.py
- m_prod_basis_obsolete.py
- m_prod_biloc.py
- m_prod_log.py
- m_prod_talman.py
- m_report.py
- m_restart.py
- m_rf0_den.py
- m_rf_den.py
- m_rf_den_pyscf.py
- m_rsphar.py
- m_rsphar_libnao.py
- m_rsphar_vec.py
- m_sbt.py
- m_sf2f_rf.py
- m_siesta2blanko_csr.py
- m_siesta2blanko_denvec.py
- m_siesta_ang2bohr.py
- m_siesta_eig.py
- m_siesta_ev2ha.py
- m_siesta_hsx.py
- m_siesta_hsx_bloch_mat.py
- m_siesta_ion.py
- m_siesta_ion_add_sp2.py
- m_siesta_ion_interp.py
- m_siesta_ion_xml.py
- m_siesta_utils.py
- m_siesta_wfsx.py
- m_siesta_xml.py
- m_siesta_xml_print.py
- m_simulation.py
- m_sparse_blas.py
- m_sparsetools.py
- m_spline_diff2.py
- m_spline_interp.py
- m_sv_chain_data.py
- m_sv_diag.py
- m_sv_get_denmat.py
- m_system_vars_deprecated.py
- m_system_vars_dos.py
- m_system_vars_gpaw.py
- m_tddft_iter_gpu.py
- m_thrj.py
- m_tools.py
- m_valence.py
- m_vertex_loop.py
- m_vhartree_coo.py
- m_vhartree_pbc.py
- m_vnucele_coo.py
- m_vnucele_coo_coulomb.py
- m_vnucele_coo_subtract.py
- m_vxc_lil.py
- m_vxc_pack.py
- m_x_zip.py
- m_xc_scalar_ni.py
- m_xjl.py
- m_xjl_numba.py
- mesh_affine_equ.py
- mf.py
- nao.py
- ndcoo.py
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- x2c.cpython-39.opt-1.pyc
- x2c.cpython-39.pyc
- sfx2c1e.py
- sfx2c1e_grad.py
- sfx2c1e_hess.py
- test/
- __pycache__/
- test_x2c.cpython-39.opt-1.pyc
- test_x2c.cpython-39.pyc
- test_x2c_grad.cpython-39.opt-1.pyc
- test_x2c_grad.cpython-39.pyc
- test_x2c_hess.cpython-39.opt-1.pyc
- test_x2c_hess.cpython-39.pyc
- test_x2c.py
- test_x2c_grad.py
- test_x2c_hess.py
- __pycache__/
- x2c.py
- xianci/
- __init__.py
- __pycache__/
- __init__.cpython-39.opt-1.pyc
- __init__.cpython-39.pyc
- xianci.cpython-39.opt-1.pyc
- xianci.cpython-39.pyc
- xianci.py
- pyscf/
- site-packages/
- python3.9/
- share/
- doc/
- python3-pyscf/
- CHANGELOG
- CONTRIBUTING.md
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- python3-pyscf/
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- doc/
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