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Spack [pace]: Use upstream CMake install rules instead (#5328)

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SY Wang 2026-06-01 02:17:32 +08:00 • committed by GitHub
parent f06fd7fe03
commit a64d610e39
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4 changed files with 9 additions and 19 deletions
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2
tools/spack/cp2k_deps_p.yaml
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@ -204,7 +204,7 @@ spack:
- "netlib-scalapack@2.2.3"
- "openblas@0.3.33"
- "openpmd-api@0.17.0"
- "pace@2025.12.4"
- "pace@2025.12.4.1"
- "pexsi@2.0.0"
- "plumed@2.10.0"
- "py-torch@2.12.0"

2
tools/spack/cp2k_deps_s-static.yaml
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@ -107,7 +107,7 @@ spack:
- "libxc@7.0.0"
- "libxsmm@1.17-cp2k"
- "openblas@0.3.33"
- "pace@2025.12.4"
- "pace@2025.12.4.1"
- "spglib@2.7.0"
- "tblite@0.6.0"

2
tools/spack/cp2k_deps_s.yaml
View file

@ -123,7 +123,7 @@ spack:
- "libxc@7.0.0"
- "libxsmm@1.17-cp2k"
- "openblas@0.3.33"
- "pace@2025.12.4"
- "pace@2025.12.4.1"
- "py-torch@2.12.0"
- "spglib@2.7.0"
- "tblite@0.6.0"

22
tools/spack/spack_repo/cp2k_dev/packages/pace/package.py
View file

@ -29,34 +29,24 @@ class Pace(CMakePackage):
license("GPL-2.0-or-later", checked_by="hjjvandam")
version("main", branch="main")
version("2025.12.4.1", tag="v.2025.12.4.p1", commit="5844770144643f872db8aa06df02d64192a8160f")
version("2025.12.4", tag="v.2025.12.4", commit="8d0483447e94d17e01cbc1826a88cae1d8c3aab6")
version(
"2023.11.25.2", tag="v.2023.11.25.fix2", commit="e60e850359b918ca93a5e9329548a58d31f4b12b"
)
variant("pic", default=True, description="Build position independent code")
variant("shared", default=False, description="Build shared libraries (otherwise static)")
depends_on("cmake@3.10:", type="build")
depends_on("cxx", type="build")
# Build always with the yaml-cpp and cnpy version included in pace
depends_on("yaml-cpp")
depends_on("cnpy")
# depends_on("yaml-cpp")
# depends_on("cnpy")
def cmake_args(self):
args = [
self.define_from_variant("BUILD_SHARED_LIBS", "shared"),
return [
self.define_from_variant("CMAKE_POSITION_INDEPENDENT_CODE", "pic"),
self.define("CMAKE_DISABLE_FIND_PACKAGE_yaml-cpp", True),
self.define("CMAKE_DISABLE_FIND_PACKAGE_cnpy", True),
]
return args
def install(self, spec, prefix):
src = self.stage.source_path
install_tree(join_path(src, "ML-PACE/ace"), join_path(prefix.include, "ace"))
install_tree(
join_path(src, "ML-PACE/ace-evaluator"), join_path(prefix.include, "ace-evaluator")
)
install_tree(join_path(src, "yaml-cpp/include"), prefix.include)
mkdirp(prefix.lib)
install(join_path(self.build_directory, "libpace.a"), prefix.lib)