Add Scine QCMaquis recipe to builtin packages (#39709)

* Add Scine QCMaquis recipe to builtin packages
* Format scine-qcmaquis recipe using black
* Remove import os from scine-qcmaquis recipe
* Reduce length of symmetries line in scine-qcmaquis
* Add myself as a maintainer of the scine-qcmaquis recipe
* Update Scine-QCMaquis recipe following the review
  PR URL: https://github.com/spack/spack/pull/39709
  Changes:
  - Updated Symmetries variant to us multi feature
  - Added dependency to boost+chrono since it was undocumented
  - Use define_from_variant to setup CMake args
  - Make version 3.1.2 be preferred since 3.1.3 build is broken
* Change build_tests boolean condition

---------

Co-authored-by: Adam Grofe <adamgrofe@microsoft.com>
This commit is contained in:
Adam Grofe 2023-09-14 14:57:42 -07:00 committed by GitHub
parent 579df768ca
commit 94c2043b28
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@ -0,0 +1,62 @@
# Copyright 2013-2023 Lawrence Livermore National Security, LLC and other
# Spack Project Developers. See the top-level COPYRIGHT file for details.
#
# SPDX-License-Identifier: (Apache-2.0 OR MIT)
from spack.package import *
class ScineQcmaquis(CMakePackage):
"""Scine QCMaquis DMRG Solver"""
homepage = "https://scine.ethz.ch/download/qcmaquis"
git = "https://github.com/qcscine/qcmaquis.git"
maintainers("adam-grofe")
version("master", branch="master")
version("3.1.3", branch="release-3.1.3")
version("3.1.2", branch="release-3.1.2", preferred=True)
variant(
"blas",
values=("openblas", "mkl"),
default="openblas",
description="Which blas library to use.",
)
variant(
"symmetries",
default="SU2U1PG,TwoU1PG",
description='Wave functions symmetries to compile (e.g. "SU2U1PG,TwoU1PG")',
values=("U1", "TwoU1", "TwoU1PG", "NU1", "Z2", "SU2U1", "SU2U1PG", "U1DG", "NONE"),
multi=True,
)
variant(
"build_tests",
default=True,
description="Whether to build unit tests using gtest and gmock",
)
root_cmakelists_dir = "dmrg"
depends_on("hdf5~mpi")
depends_on("lapack")
depends_on("openblas+ilp64 threads=openmp", when="blas=openblas")
depends_on("intel-oneapi-mkl", when="blas=mkl")
depends_on("gsl")
depends_on("boost+program_options+filesystem+system+thread+serialization+chrono")
depends_on("googletest+gmock", when="+build_tests")
def cmake_args(self):
args = [
self.define_from_variant("BUILD_SYMMETRIES", "symmetries"),
self.define_from_variant("QCMAQUIS_TESTS", "build_tests"),
]
return args
def patch(self):
if self.version <= Version("3.1.3"):
filter_file(
"#include <vector>",
"#include <vector>\n#include <map>",
"dmrg/framework/dmrg/utils/results_collector.h",
)