psi4-1.9.1-3.fc41 RPM for x86_64

From Fedora 41 updates for x86_64 / Packages / p

PSI4 is an open-source suite of ab initio quantum chemistry programs
designed for efficient, high-accuracy simulations of a variety of
molecular properties. We can routinely perform computations with more
than 2500 basis functions running serially or in parallel.

Provides

• psi4
• cmake(psi4)
• psi4(x86-64)
• psi4-devel

Requires

• /usr/bin/python3.13
• cmake
• cmake-filesystem
• libc.so.6()(64bit)
• libc.so.6(GLIBC_2.14)(64bit)
• libc.so.6(GLIBC_2.2.5)(64bit)
• libc.so.6(GLIBC_2.3.4)(64bit)
• libc.so.6(GLIBC_2.32)(64bit)
• libc.so.6(GLIBC_2.33)(64bit)
• libc.so.6(GLIBC_2.34)(64bit)
• libc.so.6(GLIBC_2.38)(64bit)
• libc.so.6(GLIBC_2.4)(64bit)
• libc.so.6(GLIBC_ABI_DT_RELR)(64bit)
• libchemps2.so.3()(64bit)
• libecpint.so.1()(64bit)
• libflexiblas.so.3()(64bit)
• libgcc_s.so.1()(64bit)
• libgcc_s.so.1(GCC_3.0)(64bit)
• libgcc_s.so.1(GCC_3.3.1)(64bit)
• libgg.so.2()(64bit)
• libgomp.so.1()(64bit)
• libgomp.so.1(GOMP_1.0)(64bit)
• libgomp.so.1(GOMP_4.0)(64bit)
• libgomp.so.1(GOMP_4.5)(64bit)
• libgomp.so.1(OMP_1.0)(64bit)
• libgomp.so.1(OMP_2.0)(64bit)
• libgomp.so.1(OMP_3.0)(64bit)
• libint2(api)(x86-64) = 1
• libint2.so.2()(64bit)
• libm.so.6()(64bit)
• libm.so.6(GLIBC_2.2.5)(64bit)
• libm.so.6(GLIBC_2.29)(64bit)
• libstdc++.so.6()(64bit)
• libstdc++.so.6(CXXABI_1.3)(64bit)
• libstdc++.so.6(CXXABI_1.3.11)(64bit)
• libstdc++.so.6(CXXABI_1.3.13)(64bit)
• libstdc++.so.6(CXXABI_1.3.15)(64bit)
• libstdc++.so.6(CXXABI_1.3.2)(64bit)
• libstdc++.so.6(CXXABI_1.3.3)(64bit)
• libstdc++.so.6(CXXABI_1.3.5)(64bit)
• libstdc++.so.6(CXXABI_1.3.8)(64bit)
• libstdc++.so.6(CXXABI_1.3.9)(64bit)
• libstdc++.so.6(GLIBCXX_3.4)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.11)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.14)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.15)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.18)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.19)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.20)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.21)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.22)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.26)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.29)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.30)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.32)(64bit)
• libstdc++.so.6(GLIBCXX_3.4.9)(64bit)
• libxc.so.15()(64bit)
• psi4-data = 1:1.9.1-3.fc41
• python(abi) = 3.13
• python3-deepdiff
• python3-numpy
• python3-optking
• python3-pydantic
• python3-qcelemental
• python3-qcengine
• python3-scipy
• rpmlib(CompressedFileNames) <= 3.0.4-1
• rpmlib(FileDigests) <= 4.6.0-1
• rpmlib(PartialHardlinkSets) <= 4.0.4-1
• rpmlib(PayloadFilesHavePrefix) <= 4.0-1
• rpmlib(PayloadIsZstd) <= 5.4.18-1
• rtld(GNU_HASH)

License

LGPL-3.0-only AND LicenseRef-Callaway-MIT

Changelog

* Sat Oct 12 2024 Susi Lehtola <jussilehtola@fedoraproject.org> - 1:1.9.1-3
  - Patch for libxc 7.0.0 compatibility in rawhide.
* Wed Sep 04 2024 Miroslav Suchý <msuchy@redhat.com> - 1:1.9.1-2
  - convert license to SPDX
* Tue Sep 03 2024 Susi Lehtola <jussilehtola@fedoraproject.org> - 1:1.9.1-1
  - Update to 1.9.1.
* Fri Jul 19 2024 Fedora Release Engineering <releng@fedoraproject.org> - 1:1.3.2-24
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild
* Sat Jun 29 2024 Python Maint <python-maint@redhat.com> - 1:1.3.2-23
  - Rebuilt for Python 3.13
* Fri Jan 26 2024 Fedora Release Engineering <releng@fedoraproject.org> - 1:1.3.2-22
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild
* Sun Jan 21 2024 Fedora Release Engineering <releng@fedoraproject.org> - 1:1.3.2-21
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild
* Fri Jul 21 2023 Fedora Release Engineering <releng@fedoraproject.org> - 1:1.3.2-20
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild
* Tue May 02 2023 Susi Lehtola <jussilehtola@fedoraproject.org> - 1:1.3.2-19
  - Address deprecated np.int (BZ #2192326).
* Fri Jan 20 2023 Fedora Release Engineering <releng@fedoraproject.org> - 1:1.3.2-18
  - Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild
* Wed Nov 02 2022 Susi Lehtola <jussilehtola@fedoraproject.org> - 1:1.3.2-17
  - Fix build issue on rawhide.
* Thu Oct 27 2022 Mamoru TASAKA <mtasaka@fedoraproject.org> - 1:1.3.2-16
  - Rebuild for new libxc

Files

/usr/bin/psi4
/usr/include/psi4
/usr/include/psi4/lib3index
/usr/include/psi4/lib3index/3index.h
/usr/include/psi4/lib3index/cholesky.h
/usr/include/psi4/lib3index/denominator.h
/usr/include/psi4/lib3index/dfhelper.h
/usr/include/psi4/lib3index/dftensor.h
/usr/include/psi4/libciomr
/usr/include/psi4/libciomr/libciomr.h
/usr/include/psi4/libcubeprop
/usr/include/psi4/libcubeprop/csg.h
/usr/include/psi4/libcubeprop/cubeprop.h
/usr/include/psi4/libdiis
/usr/include/psi4/libdiis/diismanager.h
/usr/include/psi4/libdisp
/usr/include/psi4/libdisp/dispersion.h
/usr/include/psi4/libdisp/dispersion_defines.h
/usr/include/psi4/libdpd
/usr/include/psi4/libdpd/dpd.h
/usr/include/psi4/libdpd/dpdmospace.h
/usr/include/psi4/libfilesystem
/usr/include/psi4/libfilesystem/path.h
/usr/include/psi4/libfock
/usr/include/psi4/libfock/PK_workers.h
/usr/include/psi4/libfock/PKmanagers.h
/usr/include/psi4/libfock/SplitJK.h
/usr/include/psi4/libfock/apps.h
/usr/include/psi4/libfock/cubature.h
/usr/include/psi4/libfock/dft_integrators.h
/usr/include/psi4/libfock/gridblocker.h
/usr/include/psi4/libfock/hamiltonian.h
/usr/include/psi4/libfock/jk.h
/usr/include/psi4/libfock/points.h
/usr/include/psi4/libfock/sap.h
/usr/include/psi4/libfock/solver.h
/usr/include/psi4/libfock/soscf.h
/usr/include/psi4/libfock/v.h
/usr/include/psi4/libfunctional
/usr/include/psi4/libfunctional/LibXCfunctional.h
/usr/include/psi4/libfunctional/functional.h
/usr/include/psi4/libfunctional/superfunctional.h
/usr/include/psi4/libiwl
/usr/include/psi4/libiwl/config.h
/usr/include/psi4/libiwl/iwl.h
/usr/include/psi4/libiwl/iwl.hpp
/usr/include/psi4/libmints
/usr/include/psi4/libmints/3coverlap.h
/usr/include/psi4/libmints/angularmomentum.h
/usr/include/psi4/libmints/basisset.h
/usr/include/psi4/libmints/benchmark.h
/usr/include/psi4/libmints/cartesianiter.h
/usr/include/psi4/libmints/cdsalclist.h
/usr/include/psi4/libmints/coordentry.h
/usr/include/psi4/libmints/corrtab.h
/usr/include/psi4/libmints/dcd.h
/usr/include/psi4/libmints/deriv.h
/usr/include/psi4/libmints/dimension.h
/usr/include/psi4/libmints/dipole.h
/usr/include/psi4/libmints/ecpint.h
/usr/include/psi4/libmints/electricfield.h
/usr/include/psi4/libmints/electrostatic.h
/usr/include/psi4/libmints/element_to_Z.h
/usr/include/psi4/libmints/erd_eri.h
/usr/include/psi4/libmints/eri.h
/usr/include/psi4/libmints/extern.h
/usr/include/psi4/libmints/factory.h
/usr/include/psi4/libmints/fjt.h
/usr/include/psi4/libmints/gridblock.h
/usr/include/psi4/libmints/gshell.h
/usr/include/psi4/libmints/integral.h
/usr/include/psi4/libmints/integralparameters.h
/usr/include/psi4/libmints/kinetic.h
/usr/include/psi4/libmints/local.h
/usr/include/psi4/libmints/matrix.h
/usr/include/psi4/libmints/mcmurchiedavidson.h
/usr/include/psi4/libmints/mintshelper.h
/usr/include/psi4/libmints/molecule.h
/usr/include/psi4/libmints/multipolepotential.h
/usr/include/psi4/libmints/multipoles.h
/usr/include/psi4/libmints/multipolesymmetry.h
/usr/include/psi4/libmints/nabla.h
/usr/include/psi4/libmints/numinthelper.h
/usr/include/psi4/libmints/oeprop.h
/usr/include/psi4/libmints/onebody.h
/usr/include/psi4/libmints/orbitalspace.h
/usr/include/psi4/libmints/orthog.h
/usr/include/psi4/libmints/overlap.h
/usr/include/psi4/libmints/petitelist.h
/usr/include/psi4/libmints/pointgrp.h
/usr/include/psi4/libmints/potential.h
/usr/include/psi4/libmints/potentialint.h
/usr/include/psi4/libmints/psimath.h
/usr/include/psi4/libmints/quadrupole.h
/usr/include/psi4/libmints/rel_potential.h
/usr/include/psi4/libmints/shellpair.h
/usr/include/psi4/libmints/shellrotation.h
/usr/include/psi4/libmints/sieve.h
/usr/include/psi4/libmints/siminteri.h
/usr/include/psi4/libmints/sobasis.h
/usr/include/psi4/libmints/sointegral_onebody.h
/usr/include/psi4/libmints/sointegral_twobody.h
/usr/include/psi4/libmints/tracelessquadrupole.h
/usr/include/psi4/libmints/twobody.h
/usr/include/psi4/libmints/typedefs.h
/usr/include/psi4/libmints/vector.h
/usr/include/psi4/libmints/vector3.h
/usr/include/psi4/libmints/vector3.i
/usr/include/psi4/libmints/wavefunction.h
/usr/include/psi4/libmints/writer.h
/usr/include/psi4/libmints/writer_file_prefix.h
/usr/include/psi4/libmints/x2cint.h
/usr/include/psi4/libmoinfo
/usr/include/psi4/libmoinfo/libmoinfo.h
/usr/include/psi4/libmoinfo/model_space.h
/usr/include/psi4/libmoinfo/moinfo.h
/usr/include/psi4/libmoinfo/moinfo_base.h
/usr/include/psi4/libmoinfo/moinfo_scf.h
/usr/include/psi4/libmoinfo/slater_determinant.h
/usr/include/psi4/liboptions
/usr/include/psi4/liboptions/liboptions.h
/usr/include/psi4/libplugin
/usr/include/psi4/libplugin/plugin.h
/usr/include/psi4/libpsi4util
/usr/include/psi4/libpsi4util/PsiOutStream.h
/usr/include/psi4/libpsi4util/class_macros.h
/usr/include/psi4/libpsi4util/exception.h
/usr/include/psi4/libpsi4util/libpsi4util.h
/usr/include/psi4/libpsi4util/memory_manager.h
/usr/include/psi4/libpsi4util/process.h
/usr/include/psi4/libpsio
/usr/include/psi4/libpsio/aiohandler.h
/usr/include/psi4/libpsio/config.h
/usr/include/psi4/libpsio/psio.h
/usr/include/psi4/libpsio/psio.hpp
/usr/include/psi4/libqt
/usr/include/psi4/libqt/blas_intfc23_mangle.h
/usr/include/psi4/libqt/blas_intfc_mangle.h
/usr/include/psi4/libqt/lapack_intfc.h
/usr/include/psi4/libqt/lapack_intfc_mangle.h
/usr/include/psi4/libqt/qt.h
/usr/include/psi4/libqt/slaterdset.h
/usr/include/psi4/libsapt_solver
/usr/include/psi4/libsapt_solver/fdds_disp.h
/usr/include/psi4/libsapt_solver/sapt.h
/usr/include/psi4/libsapt_solver/sapt0.h
/usr/include/psi4/libsapt_solver/sapt2.h
/usr/include/psi4/libsapt_solver/sapt2p.h
/usr/include/psi4/libsapt_solver/sapt2p3.h
/usr/include/psi4/libsapt_solver/usapt0.h
/usr/include/psi4/libscf_solver
/usr/include/psi4/libscf_solver/cuhf.h
/usr/include/psi4/libscf_solver/hf.h
/usr/include/psi4/libscf_solver/pairs.h
/usr/include/psi4/libscf_solver/rhf.h
/usr/include/psi4/libscf_solver/rohf.h
/usr/include/psi4/libscf_solver/sad.h
/usr/include/psi4/libscf_solver/uhf.h
/usr/include/psi4/libtrans
/usr/include/psi4/libtrans/fcidump_helper.h
/usr/include/psi4/libtrans/integraltransform.h
/usr/include/psi4/libtrans/integraltransform_functors.h
/usr/include/psi4/libtrans/mospace.h
/usr/include/psi4/masses.h
/usr/include/psi4/physconst.h
/usr/include/psi4/pragma.h
/usr/include/psi4/psi4-dec.h
/usr/include/psi4/psifiles.h
/usr/include/psi4/pybind11.h
/usr/include/psi4/times.h
/usr/lib/.build-id
/usr/lib/.build-id/c9
/usr/lib/.build-id/c9/80079028b448e79aa4df5493a2d82724497f93
/usr/lib64/python3.13/site-packages/psi4
/usr/lib64/python3.13/site-packages/psi4/__init__.py
/usr/lib64/python3.13/site-packages/psi4/__pycache__
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