libcint5-5.5.0-1.2 RPM for riscv64

From OpenSuSE Ports Tumbleweed for riscv64

libcint is an open source library for analytical Gaussian integrals.
It provides C/Fortran API to evaluate one-electron / two-electron
integrals for Cartesian / real-spherical / spinor Gaussian type functions.

Provides

• libcint5
• libcint.so.5()(64bit)
• libcint5(riscv-64)

Requires

• /sbin/ldconfig
• /sbin/ldconfig
• ld-linux-riscv64-lp64d.so.1()(64bit)
• ld-linux-riscv64-lp64d.so.1(GLIBC_2.27)(64bit)
• libc.so.6()(64bit)
• libc.so.6(GLIBC_2.27)(64bit)
• libm.so.6()(64bit)
• libm.so.6(GLIBC_2.27)(64bit)
• rpmlib(CompressedFileNames) <= 3.0.4-1
• rpmlib(FileDigests) <= 4.6.0-1
• rpmlib(PayloadFilesHavePrefix) <= 4.0-1
• rpmlib(PayloadIsZstd) <= 5.4.18-1

License

BSD-2-Clause

Changelog

* Wed Nov 15 2023 Dirk Müller <dmueller@suse.com>
  - update to 5.5.0:
    * Fix memory leak issue in int4c1e
    * Add polynomial root finder with eigenvalue algorithm
    * Fitting Rys roots of SR integrals with Chebyshev polynomials
    * New integrals related to LRESC
    * Supports Gaussian model for int1e_grids
    * Add constant PTR_FRAC_CHARGE for QM/MM interface in pyscf
    * Improves rys-roots numerical stability in the near-zero limit
    * Improves rys-roots finder accuracy
    * Improve error handling for SR-ERI integrals
    * Optimize SR-ERI integral screening
    * Fix approx_log bug for non-x86 architecture
    * Fix integer overflow error in cintopt initialization
    * Boundary check when initializing CINTOpt
    * Add 4-center 1-electron intergral int4c1e
    * New integral int3c1e_ip1
    * New integral int1e_r4
    * Missing cart2sph function for l=15
    * Fix cint3c1e_cart integral
    * Fix integer overflow in gto_norm function
    * Update cint.h to make CINTEnvVars closed to the definition in
      qcint
    * Improve the cartesian-spinor transformation
    * Remove the dependency to BLAS library
    * Update the header file cint.h
    * Update the drivers for cint2e, cint3c2e, cint3c1e, cint2c2e
    * Fix uninitialized variables in rys_roots
    * Fix Cartesian-spherical and Cartesian-spinor transformation
      coefficients
    * Fix divide-by-0 bug
    * Improve performance of quadruple precision rys-roots function
    * Improve short-range rys-roots accuracy
  - drop fix_control_reaches_end_of_non-void_function.patch
    (upstream)
* Thu Jun 17 2021 andy great <andythe_great@pm.me>
  - Update to version 4.4.1.
    * Fix bugs in int1e_grids for attenuated Coulomb operators
  - Updates for version 4.4.0.
    * Fix bugs in c2s transfomration for int1e_grids
    * Fix bugs int1e_grids code generator
    * Refactor cart2sph
    * Refactor int1e drivers
  - Updates for version 4.3.0.
    * Add new integral type int1e_grids
    * Fix cache size type
  - Updates for version 4.1.3.
    * Fix memory address int32 overflow for heavily contracted basis
  - Updates for version 4.1.2 .
    * Fix a bug due to significant digits of float128 in the core Fmt integrals
  - Updates for version 4.1.1.
    * Fix bug in short-range Coulomb core integrals
  - Updates for version 4.1.0.
    * Add new Rys roots and weights algorithm
    * Improve integral accuracy for high angular momentum basis
    * Improve integral accuracy for short-range Coulomb integrals
    * Add supports of 2-e integrals up to l=15
  - Add patch fix_control_reaches_end_of_non-void_function.patch
    Fix error control reaches end of non-void function in int3c2e.c
    Patch fixed upsteam.
* Tue Jan 12 2021 andy great <andythe_great@pm.me>
  - Update to version 4.0.7.
    * Fix bug in rys_roots when R_dsmit fails to find all roots.
* Thu Nov 12 2020 andy great <andythe_great@pm.me>
  - Update to version 4.0.6.
    * Fix return value bug in rysroots
  - Update since 3.1.1.
    * Fix prescreening bug in int3c2e
    * Fix cache size bug in int3c1e
    * Fix memory allocation bug in int3c1e
    * Improve macro MALLOC_INSTACK
    * Fix function typedef bug in include/cint_funcs.h
    * Update cmake configs and docs
    * API Change. PTR_LIGHT_SPEED is replaced with PTR_EXPCUTOFF.
      Integral screening parameter can be passed through
      env[PTR_EXPCUTOFF]
    * Add short-range integrals for range-separation
    * Handle linear dependency in Rys polynomial
    * Avoid calling exit function
* Fri Sep 04 2020 andy great <andythe_great@pm.me>
  - Clean up spec file.
* Thu Sep 03 2020 andy great <andythe_great@pm.me>
  - Fix devel dependency.
* Tue Sep 01 2020 andy great <andythe_great@pm.me>
  - Initial package release.

Files

/usr/lib64/libcint.so.5
/usr/lib64/libcint.so.5.5.0

Generated by rpm2html 1.8.1

Fabrice Bellet, Tue Nov 19 01:14:14 2024