cp2k 8.1-1 source package in Ubuntu
Changelog
cp2k (8.1-1) unstable; urgency=medium
* New upstream release.
+ RI-HFX: Add resolution of identity for Hartree-Fock exchange
+ ALMO: Add trust region methods
+ Linear Scaling DFT: New implementation based on the submatrix method and
matrix sign function
+ TDDFPT code refactoring, add sTDA kernel, xTB/sTDA method
+ Response code for polarizabilities: add finite difference debug, hybrid
functionals, and ADMM
+ Harris functional based on Kohn-Sham density
+ NNP: Behler-Parrinello Neural Network Potentials
+ XAS_TDP: Add OT solver and improve performance
+ mGGA: Add stress tensor
* debian/patches/python3.patch: Removed, no longer needed.
* debian/patches/dbcsr_gfortran10.patch: Likewise.
* debian/patches/gfortran10.patch: Likewise.
* debian/patches/testsuite_output.patch: Refreshed.
* debian/patches/makeflags.patch: Add CFLAGS variable, defining now required
-fopenmp, add -fopenmp to FCFLAGS and drop -fallow-argument-mismatch from
it.
* debian/rules (override_dh_auto_test): Add one more regtest directory.
-- Michael Banck <email address hidden> Thu, 31 Dec 2020 14:12:29 +0100
Upload details
- Uploaded by:
- Debichem Team
- Uploaded to:
- Sid
- Original maintainer:
- Debichem Team
- Architectures:
- any all
- Section:
- science
- Urgency:
- Medium Urgency
See full publishing history Publishing
| Series | Published | Component | Section |
|---|
Downloads
| File | Size | SHA-256 Checksum |
|---|---|---|
| cp2k_8.1-1.dsc | 2.1 KiB | 2a21f7de1974e3c52fd775730e5f945cc5ca5444fdf78a999b822d705ad132dc |
| cp2k_8.1.orig.tar.bz2 | 75.7 MiB | 7f37aead120730234a60b2989d0547ae5e5498d93b1e9b5eb548c041ee8e7772 |
| cp2k_8.1-1.debian.tar.xz | 14.6 KiB | 1cd642ce4dadebff661ae1b938da08c2a51afce20a384461ad25a87800f33929 |
Available diffs
- diff from 7.1-5 to 8.1-1 (15.0 MiB)
No changes file available.
Binary packages built by this source
- cp2k: No summary available for cp2k in ubuntu hirsute.
No description available for cp2k in ubuntu hirsute.
- cp2k-data: No summary available for cp2k-data in ubuntu hirsute.
No description available for cp2k-data in ubuntu hirsute.
- cp2k-dbgsym: No summary available for cp2k-dbgsym in ubuntu hirsute.
No description available for cp2k-dbgsym in ubuntu hirsute.
