| Age | Commit message (Expand) | Author | Files | Lines |
|---|
| 2023-05-30 | cp2k fixes for aocc (#37758) | AMD Toolchain Support | 2 | -2/+15 |
| 2023-03-01 | cp2k: fix builds on macOS, workaround reported issue with __contains__ (#35584) | Tiziano Müller | 1 | -35/+19 |
| 2023-02-16 | Style: black 23, skip magic trailing comma (#35351) | Adam J. Stewart | 1 | -52/+10 |
| 2023-02-16 | cp2k: explicitly use C99 standard (#34957) | Mosè Giordano | 1 | -0/+4 |
| 2023-02-16 | cp2k: add v2023.1 (#35346) | Rémi Lacroix | 1 | -5/+11 |
| 2023-02-01 | Use the `maintainers` directive in all packages (#35201) | Massimiliano Culpo | 1 | -1/+1 |
| 2023-01-18 | license year bump (#34921) | Harmen Stoppels | 1 | -1/+1 |
| 2023-01-17 | cp2k: enable linking with armpl-gcc for BLAS and FFT (#34981) | Annop Wongwathanarat | 1 | -0/+4 |
| 2023-01-16 | cp2k: add v2022.2, update CUDA settings (#34757) | Glenn Johnson | 1 | -4/+25 |
| 2022-11-22 | Python: drop EOL versions (#33898) | Adam J. Stewart | 1 | -4/+4 |
| 2022-08-25 | fixed cp2k libcp2k.pc (#32349) | AMD Toolchain Support | 1 | -10/+11 |
| 2022-08-08 | gromacs: add CP2K (#31836) | Maciej Wójcik | 1 | -0/+39 |
| 2022-07-31 | black: reformat entire repository with black | Todd Gamblin | 1 | -460/+490 |
| 2022-05-28 | refactor: packages import `spack.package` explicitly (#30404) | Tom Scogland | 1 | -0/+1 |
| 2022-05-19 | cp2k: fix unbound var use without cuda (#30736) | Tiziano Müller | 1 | -1/+2 |
| 2022-03-23 | Use stable URLs and `?full_index=1` for all github patches (#29239) | Adam J. Stewart | 1 | -2/+2 |
| 2022-03-08 | cray-libsci/cp2k: add constraints to get consistently linked executables (#29... | Tiziano Müller | 1 | -0/+5 |
| 2022-02-22 | cp2k: bump version to 9.1, fix building with CUDA (#29108) | Tiziano Müller | 1 | -13/+38 |
| 2022-01-14 | Update copyright year to 2022 | Todd Gamblin | 1 | -1/+1 |
| 2022-01-03 | cp2k: fix dependency libraries (#28128) | AMD Toolchain Support | 1 | -1/+1 |
| 2021-12-01 | cp2k: fix build issues without cuda, and with elpa on openSUSE (#27738) | Tiziano Müller | 1 | -3/+3 |
| 2021-11-22 | Make CUDA and ROCm architecture conditional (#27185) | Massimiliano Culpo | 1 | -10/+9 |
| 2021-10-14 | cp2k: use variant propagation trick for virtuals (#26737) | Harmen Stoppels | 1 | -5/+6 |
| 2021-10-04 | cp2k: bugfix for intel oneapi (#26143) | Tiziano Müller | 1 | -5/+36 |
| 2021-10-03 | Remove .99 from version ranges (#26422) | Harmen Stoppels | 1 | -16/+16 |
| 2021-08-09 | cp2k: update elpa and sirius dependencies, fix build with mpich and gcc@10 (#... | Tiziano Müller | 1 | -3/+8 |
| 2021-07-02 | Rename cray compiler to cce (#24653) | Joe Heaton | 1 | -3/+3 |
| 2021-07-02 | Add `when` context manager to group common constraints in packages (#24650) | Massimiliano Culpo | 1 | -60/+72 |
| 2021-06-11 | cp2k: add v8.2 (#24265) | Robert Mijakovic | 1 | -0/+1 |
| 2021-05-18 | cray: fix builds on Alps/Eiger (CSCS) (#23470) | Harmen Stoppels | 1 | -0/+3 |
| 2021-05-11 | cp2k: update libvori and libxc dependencies (#23553) | Tiziano Müller | 1 | -3/+7 |
| 2021-03-31 | adding AOCC support for CP2K 7.1 (#22641) | AMD Toolchain Support | 1 | -0/+1 |
| 2021-03-19 | CP2K: update libxc dep, SIRIUS: update spla dep for 7+ (#22249) | Tiziano Müller | 1 | -1/+2 |
| 2021-02-08 | cp2k: added support for AMD toolchain (#21371) | AMD Toolchain Support | 1 | -26/+41 |
| 2021-01-13 | cp2k: add v8.1 (#20829) | Tiziano Müller | 1 | -1/+3 |
| 2021-01-12 | dbcsr, cp2k: fix cuda arch conflicts in asp concretizer (#20784) | Harmen Stoppels | 1 | -9/+17 |
| 2021-01-02 | copyrights: update all files with license headers for 2021 | Todd Gamblin | 1 | -1/+1 |
| 2020-12-24 | Add libvori and support for libvori (and spglib) in CP2K (#20508) | Tiziano Müller | 1 | -0/+22 |
| 2020-11-06 | cp2k: fix lmax variant to use tuple (#19780) | Andrew W Elble | 1 | -1/+1 |
| 2020-10-26 | cp2k, libxc, libint: fix builds with %intel, resp. intel-parallel-studio+mkl ... | Tiziano Müller | 1 | -1/+6 |
| 2020-10-22 | Enable packages to use the NVIDIA HPC SDK (#19452) | Scott McMillan | 1 | -1/+2 |
| 2020-09-16 | libvdwxc: unbreak concretization, request fftw-api (#18688) | Tiziano Müller | 1 | -24/+4 |
| 2020-09-10 | update CP2K pkg for 8+ (#18607) | Tiziano Müller | 1 | -6/+10 |
| 2020-08-31 | cp2k: Add depend on libxc@4.3.4. (#18346) | t-nojiri | 1 | -3/+3 |
| 2020-07-31 | cp2k: support for aarch64 (#17786) | darmac | 1 | -0/+4 |
| 2020-07-21 | cp2k: make libint optional (#17618) | Tiziano Müller | 1 | -23/+30 |
| 2020-06-29 | cp2k: variant tuning `lmax` was broken (#17266) | Fabien Bruneval | 1 | -1/+1 |
| 2020-06-25 | Separate Apple Clang from LLVM Clang (#17110) | Massimiliano Culpo | 1 | -0/+1 |
| 2020-04-27 | CP2K: arch file improvements and blas-dependency simplification (#16074) | Tiziano Müller | 1 | -75/+127 |
| 2020-04-14 | cp2k: add version 7.1 (#16037) | Tiziano Müller | 1 | -1/+16 |
