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Commits on Mar 8, 2022

• cray-libsci/cp2k: add constraints to get consistently linked executables (#29396)

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Commits on Feb 22, 2022

• cp2k: bump version to 9.1, fix building with CUDA (#29108)

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Commits on Jan 3, 2022

• elpa: add version 2021.11.001, add +autotune variant (#28134)

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Commits on Dec 2, 2021

• elpa package: add version 2021.05.002_bugfix (#27748)

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Commits on Dec 1, 2021

• cp2k: fix build issues without cuda, and with elpa on openSUSE (#27738)

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Commits on Nov 12, 2021

• boost: ensure Spack wrappers are used for %intel (#27348)

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Commits on Oct 4, 2021

• cp2k: bugfix for intel oneapi (#26143)

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Commits on Sep 21, 2021

• boost: fix for @1.77.0%intel (#25965)

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Commits on Aug 9, 2021

• cp2k: update elpa and sirius dependencies, fix build with mpich and gcc@10 (#24376)

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Commits on Jul 20, 2021

• abinit: make libxml2 really optional, add optimization-flavor variant, fix build with ifort for atompaw (#24876)

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Commits on Jul 19, 2021

• libint: add debug/fma variants, fix tests for v2.6 (#24665)

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Commits on Jul 2, 2021

• amdlibflame: fix build with gcc from CrayPE (#24358)

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Commits on May 11, 2021

• cp2k: update libvori and libxc dependencies (#23553)

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Commits on May 7, 2021

• compilers: aocc is now also available as a Cray PrgEnv (#23289)

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Commits on May 3, 2021

• llvm-doe: fix typo breaking "spack external find" (#23399)

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Commits on Apr 13, 2021

• gaussian-view/vmd: add deps on X11/GL libraries (#22322)

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• Documentation: update intel-parallel-studio instructions (#22248)

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• intel-parallel-studio: fix vtune installation for 2020+ (#22255)

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• spglib: fix libs property for some multilib distros (#22956)

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Commits on Apr 6, 2021

• anaconda3: add v2020.11 (#22576)

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Commits on Mar 19, 2021

• CP2K: update libxc dep, SIRIUS: update spla dep for 7+ (#22249)

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Commits on Mar 16, 2021

• llvm: enable ncurses patch for building on SUSE in 11.0.1 (#22319)

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Commits on Jan 13, 2021

• cp2k: add v8.1 (#20829)

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Commits on Dec 28, 2020

• libvori: added v201224 (#20577)

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Commits on Dec 24, 2020

• Add libvori and support for libvori (and spglib) in CP2K (#20508)

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Commits on Nov 2, 2020

• llvm: fix +lldb build with external ncurses on openSUSE (#19627)

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Commits on Oct 30, 2020

• molden: adding the package (#19626)

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Commits on Oct 26, 2020

• cp2k, libxc, libint: fix builds with %intel, resp. intel-parallel-studio+mkl (#19522)

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Commits on Oct 23, 2020

• let intel-parallel-studio provide fftw-api for +mkl (#19497)

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• gaussian-src: initial commit, gaussian-view: update to 6.1.1 (#17711)

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Commits on Sep 16, 2020

• libvdwxc: unbreak concretization, request fftw-api (#18688)

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Commits on Sep 10, 2020

• update CP2K pkg for 8+ (#18607)

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Commits on Jul 30, 2020

• pgi: update to 20.4 (#17696)

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Commits on Jul 21, 2020

• cp2k: make libint optional (#17618)

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Commits on Apr 28, 2020

• CP2K: arch file improvements and blas-dependency simplification (#16074)

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