Age | Commit message (Expand) | Author | Files | Lines |
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 |
2019-12-30 | copyright: update copyright dates for 2020 (#14328) | Todd Gamblin | 1 | -1/+1 |
2019-12-22 | Set full xiar path when building cp2k with intel compiler (#14268) | Glenn Johnson | 1 | -1/+2 |
2019-10-29 | CP2K: drop json-fortran dependency and add support for the Nvidia V100 (#13468) | Tiziano Müller | 1 | -7/+2 |
2019-10-02 | libint + cp2k: 2-stage build with 'tune' and 'fortran' variants (#12475) | Tiziano Müller | 1 | -20/+46 |
2019-09-26 | Removed references to '(-march|-mtune|-mcpu)=native' (#12948) | Massimiliano Culpo | 1 | -1/+0 |
2019-08-13 | CP2K/SIRIUS: add support for building with CUDA, fix CP2K build with MKL (#11... | Tiziano Müller | 1 | -11/+75 |
2019-05-10 | elpa: override headers prop for common include-dir localization | Tiziano Müller | 1 | -7/+3 |
2019-05-10 | packages/cp2k: require libxsmm 1.11+ | Tiziano Müller | 1 | -1/+2 |
2019-05-10 | packages/cp2k: build with -ggdb with GNU for backtraces | Tiziano Müller | 1 | -1/+5 |
2019-05-10 | packages/cp2k: add support for sirius | Tiziano Müller | 1 | -1/+27 |
2019-05-01 | CP2K package: add versions and tests, adjust optimization flags (#11263) | Tiziano Müller | 1 | -3/+20 |
2019-02-14 | cp2k is now a MakefilePackage (#10570) | Massimiliano Culpo | 1 | -240/+249 |
2019-01-01 | copyright: update license headers for 2013-2019 copyright. | Todd Gamblin | 1 | -1/+1 |
2018-11-20 | CP2K related fixes and update (#9308) | Tiziano Müller | 1 | -84/+160 |
2018-10-17 | relicense: replace LGPL headers with Apache-2.0/MIT SPDX headers | Todd Gamblin | 1 | -23/+4 |
2018-08-15 | install_tree, copy_tree can install into existing directory structures (#8289) | Adam J. Stewart | 1 | -4/+2 |
2018-03-24 | Update copyright on LLNL files for 2018. (#7592) | Todd Gamblin | 1 | -1/+1 |
2017-11-15 | cp2k: add dependency on smm and libxc & new version 5.1 (#6194) | baip | 1 | -27/+81 |
2017-11-04 | Replace github.com/llnl/spack with github.com/spack/spack (#6142) | Todd Gamblin | 1 | -1/+1 |
2017-09-06 | Update copyright notices for 2017 (#5295) | Michael Kuhn | 1 | -1/+1 |
2017-06-24 | Make LICENSE recognizable by GitHub. (#4598) | Todd Gamblin | 1 | -1/+1 |
2017-06-23 | cp2k: added missing macros to the makefile (#88) (#4589) | Massimiliano Culpo | 1 | -0/+2 |
2017-05-09 | cp2k: fixed compilation issues for intel stack | Massimiliano Culpo | 1 | -16/+55 |
2017-04-29 | Python command, libraries, and headers (#3367) | Adam J. Stewart | 1 | -4/+4 |
2017-03-30 | cp2k: update to 4.1 + update of dependencies (#3561) | Massimiliano Culpo | 1 | -5/+20 |
2017-03-04 | Allow find_libraries to accept lists or strings (#3363) | Adam J. Stewart | 1 | -1/+1 |
2017-03-02 | New interface for passing build information among specs (#1875) | Massimiliano Culpo | 1 | -7/+7 |
2016-10-03 | cp2k : added support for libint, fixed compilation issues on elpa (#1889) | Massimiliano Culpo | 1 | -4/+8 |
2016-09-21 | Reworking of `lapack_shared_libs` and similar properties (#1682) | Massimiliano Culpo | 1 | -15/+10 |
2016-09-21 | cp2k : added dependencies (#1724) | Massimiliano Culpo | 1 | -4/+17 |
2016-09-03 | added package : pexsi (#1550) | Massimiliano Culpo | 1 | -2/+20 |