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cint-devel-4.4.1-bp155.1.9 RPM for x86_64

From OpenSuSE Leap 15.5 for x86_64

Name: cint-devel Distribution: SUSE Linux Enterprise 15 SP5
Version: 4.4.1 Vendor: openSUSE
Release: bp155.1.9 Build date: Mon May 22 11:55:15 2023
Group: Unspecified Build host: build82
Size: 267957 Source RPM: libcint-4.4.1-bp155.1.9.src.rpm
Packager: https://bugs.opensuse.org
Url: https://github.com/sunqm/libcint
Summary: Development files for libcint
 
The libcint-devel package contains libraries and header files for
developing applications that use libcint.

Provides

Requires

License

BSD-2-Clause

Changelog

* 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/include/cint.h
/usr/include/cint_funcs.h
/usr/lib64/libcint.so
/usr/share/doc/packages/cint-devel
/usr/share/doc/packages/cint-devel/README
/usr/share/doc/packages/cint-devel/program_ref.pdf
/usr/share/licenses/cint-devel
/usr/share/licenses/cint-devel/LICENSE

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Fabrice Bellet, Tue Jul 9 18:11:13 2024