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Drop local spack recipe for libfci (#5567)

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Matthias Krack 2026-07-09 20:53:15 +02:00 • committed by GitHub
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commit 61b9195a45
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4 changed files with 3 additions and 47 deletions
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2
tools/spack/cp2k_deps_p.yaml
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@ -184,7 +184,7 @@ spack:
repos:
builtin:
commit: edc067bda809d84697447136810472b828dd5c19 # 2026-07-09
commit: fc7222b5b8ababa8588be2e23ff39b33ecc9ce12 # 2026-07-09
specs:
# Build tools

2
tools/spack/cp2k_deps_s-static.yaml
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@ -96,7 +96,7 @@ spack:
repos:
builtin:
commit: edc067bda809d84697447136810472b828dd5c19 # 2026-07-09
commit: fc7222b5b8ababa8588be2e23ff39b33ecc9ce12 # 2026-07-09
specs:
# Build tools

2
tools/spack/cp2k_deps_s.yaml
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@ -117,7 +117,7 @@ spack:
repos:
builtin:
commit: edc067bda809d84697447136810472b828dd5c19 # 2026-07-09
commit: fc7222b5b8ababa8588be2e23ff39b33ecc9ce12 # 2026-07-09
specs:
# Build tools

44
tools/spack/spack_repo/cp2k_dev/packages/libfci/package.py
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@ -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