diff --git a/tools/spack/cp2k_deps_p.yaml b/tools/spack/cp2k_deps_p.yaml index 69d43b057f..0abc2ec113 100644 --- a/tools/spack/cp2k_deps_p.yaml +++ b/tools/spack/cp2k_deps_p.yaml @@ -184,7 +184,7 @@ spack: repos: builtin: - commit: edc067bda809d84697447136810472b828dd5c19 # 2026-07-09 + commit: fc7222b5b8ababa8588be2e23ff39b33ecc9ce12 # 2026-07-09 specs: # Build tools diff --git a/tools/spack/cp2k_deps_s-static.yaml b/tools/spack/cp2k_deps_s-static.yaml index 312cb1a886..0fcbfba865 100644 --- a/tools/spack/cp2k_deps_s-static.yaml +++ b/tools/spack/cp2k_deps_s-static.yaml @@ -96,7 +96,7 @@ spack: repos: builtin: - commit: edc067bda809d84697447136810472b828dd5c19 # 2026-07-09 + commit: fc7222b5b8ababa8588be2e23ff39b33ecc9ce12 # 2026-07-09 specs: # Build tools diff --git a/tools/spack/cp2k_deps_s.yaml b/tools/spack/cp2k_deps_s.yaml index 983ab9b111..7818aebe3d 100644 --- a/tools/spack/cp2k_deps_s.yaml +++ b/tools/spack/cp2k_deps_s.yaml @@ -117,7 +117,7 @@ spack: repos: builtin: - commit: edc067bda809d84697447136810472b828dd5c19 # 2026-07-09 + commit: fc7222b5b8ababa8588be2e23ff39b33ecc9ce12 # 2026-07-09 specs: # Build tools diff --git a/tools/spack/spack_repo/cp2k_dev/packages/libfci/package.py b/tools/spack/spack_repo/cp2k_dev/packages/libfci/package.py deleted file mode 100644 index 7c02da8929..0000000000 --- a/tools/spack/spack_repo/cp2k_dev/packages/libfci/package.py +++ /dev/null @@ -1,44 +0,0 @@ -# Copyright Spack Project Developers. See COPYRIGHT file for details. -# -# SPDX-License-Identifier: (Apache-2.0 OR MIT) - -from spack_repo.builtin.build_systems.cmake import CMakePackage - -from spack.package import * - - -class Libfci(CMakePackage): - """libfci is a compact determinant full-CI solver library developed by Gerald Knizia, 2010-2012, - and packaged as a small C ABI for active-space embedding workflows. The original standalone driver - accepted FCIDUMP-style Hamiltonians. The library interface bypasses file I/O and accepts dense - active-space one- and two-electron matrices using CP2K's FCIDUMP conventions. The exported C entry point - is libfci_solve. A compatibility wrapper named cp2k_fci_solve is also exported for older CP2K integration - experiments. - """ - - maintainers("mkrack") - - homepage = "https://github.com/DCM-Uni-Paderborn/libfci" - url = "https://www.cp2k.org/static/downloads/libfci-0.0.0.tar.gz" - git = "https://github.com/DCM-Uni-Paderborn/libfci.git" - - license("LicenseRef-Knizia-Permissive", checked_by="mkrack") - - version("main", branch="main") - version("0.1.0", sha256="63e8bd632e55f4b99dbaa3e905cdcd3c5dbc17aefdca1391b855f34a792bb29a") - - variant("openmp", default=True, description="Build with OpenMP parallelisation support") - variant("shared", default=True, description="Build shared libraries (otherwise static)") - - depends_on("cmake@3.16:", type="build") - depends_on("cxx", type="build") - - depends_on("blas") - depends_on("lapack") - - def cmake_args(self): - args = [ - self.define_from_variant("LIBFCI_USE_OPENMP", "openmp"), - self.define_from_variant("BUILD_SHARED_LIBS", "shared"), - ] - return args