update spack version to v0.23.0

packages/ambertools/package.py

-# Copyright 2013-2024 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 import *
-
-class Ambertools (CMakePackage):
-    """AmberTools is a free, useful standalone package and a prerequisite for installing Amber itself.
-    The AmberTools suite is free of charge, and its components are mostly released under the GNU General Public License (GPL).
-    A few components are included that are in the public domain or which have other, open-source, licenses.
-    The libsander and libpbsa libraries use the LGPL license."""
-
-    # Set the homepage and download url
-    homepage = "http://ambermd.org/AmberTools.php"
-    url      = "http://ambermd.org/downloads/AmberTools22jlmrcc.tar.bz2"
-
-    # Set the gitlab accounts of this package maintainers
-    maintainers = ['dbeltran', 'elmath']
-
-    version('22jlmrcc', sha256='1571d4e0f7d45b2a71dce5999fa875aea8c90ee219eb218d7916bf30ea229121')
-
-    # Dependencies
-    depends_on("flex",                      type="build") # This is necessary for sure (experimentally tested)
-    depends_on("bison",                     type="build") # This is necessary for sure (experimentally tested)
-    depends_on("tcsh",                      type="build")
-    depends_on("zlib",                      type=("build", "link", "run"))
-    depends_on("bzip2",                     type=("build", "run"))
-    depends_on("blas",                      type=("build", "run"))
-    depends_on("lapack",                    type=("build", "run"))
-    depends_on("arpack-ng",                 type=("build", "run"))
-    depends_on("netcdf-c",                  type=("build", "run"))
-    depends_on("netcdf-fortran",            type=("build", "run"))
-    depends_on("fftw",                      type=("build", "run"))
-    depends_on("readline",                  type=("build", "run"))
-    depends_on("netlib-xblas~plain_blas",   type=("build", "run"))
-    # specific variants needed for boost - from the build log "Could NOT find Boost (missing: thread system program_options iostreams regex timer chrono filesystem graph)"
-    depends_on("boost+thread+system+program_options+iostreams+regex+timer+chrono+filesystem+graph", type=("build", "run"))
-
-    # Python dependencies
-    # WARNING: If a python 3.8 version is already installed in spack then the '+tkinter' variant makes spack ignore the version
-    # WARNING: Spack may try to install the preferred python version (i.e. python 3.10.8)
-    # WARNING: The soultion is uninstall python and reinstall with this variant
-    depends_on('python@3.8: +tkinter',      type=('build', 'run'))
-    depends_on("py-numpy",                  type=("build", "run"))
-    depends_on("py-matplotlib",             type=("build", "run"))
-    depends_on("py-scipy",                  type=("build", "run"))
-
-    def cmake_args(self):
-        # Translated from ambertools build/run_cmake script
-        # We also add the TRUST_SYSTEM_LIBS argument that is mentioned in the ambertools CMake guide
-        #   https://ambermd.org/pmwiki/pmwiki.php/Main/CMake-Guide-to-Options
-        args = [
-            self.define("COMPILER", "GNU"),
-            self.define("MPI", False),
-            self.define("CUDA", False),
-            self.define("INSTALL_TESTS", True),
-            self.define("DOWNLOAD_MINICONDA", False),
-            self.define("TRUST_SYSTEM_LIBS", True),
-            # This is to avoid the x11 (X11_Xext_LIB) error
-            # It is equivalent to the '-noX11' flag accoridng to the docs:
-            # https://ambermd.org/pmwiki/pmwiki.php/Main/CMake-Common-Options
-            self.define("BUILD_GUI", False)
-        ]
-        return args
-
-    def setup_run_environment(self, env):
-        env.set("AMBER_PREFIX", self.prefix)
-        env.set("AMBERHOME", self.prefix)
-
-    def setup_build_environment(self, env):
-        env.set("AMBER_PREFIX", self.prefix)
-        env.set("AMBERHOME", self.prefix)
-
-    @run_after('install')
-    @on_package_attributes(run_tests=True)
-    def check_install(self):
-        make("test.serial")