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orca: switching to xz archives, removing old version (#44035)

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snehring 2024-05-07 17:18:53 -05:00 committed by GitHub
parent 84ed4cd331
commit e0c6cca65c
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1 changed files with 10 additions and 38 deletions
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48
var/spack/repos/builtin/packages/orca/package.py
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@ -18,64 +18,36 @@ class Orca(Package):
set up a mirror, see https://spack.readthedocs.io/en/latest/mirrors.html"""
homepage = "https://cec.mpg.de"
url = "file://{0}/orca_4_0_1_2_linux_x86-64_openmpi202.tar.zst".format(os.getcwd())
maintainers("snehring")
manual_download = True
license("LGPL-2.1-or-later")
version(
"5.0.3",
sha256="b8b9076d1711150a6d6cb3eb30b18e2782fa847c5a86d8404b9339faef105043",
url="file://{0}/orca_5_0_3_linux_x86-64_shared_openmpi411.tar.xz".format(os.getcwd()),
)
version(
"4.2.1",
sha256="9bbb3bfdca8220b417ee898b27b2885508d8c82799adfa63dde9e72eab49a6b2",
expand=False,
)
version(
"4.2.0",
sha256="55a5ca5aaad03396ac5ada2f14b61ffa735fdc2d98355e272465e07a6749d399",
expand=False,
)
version(
"4.0.1.2",
sha256="cea442aa99ec0d7ffde65014932196b62343f7a6191b4bfc438bfb38c03942f7",
expand=False,
)
version("5.0.3", sha256="b8b9076d1711150a6d6cb3eb30b18e2782fa847c5a86d8404b9339faef105043")
version("4.2.1", sha256="a84b6d2706f0ddb2f3750951864502a5c49d081836b00164448b1d81c577f51a")
version("4.2.0", sha256="01096466e41a5232e5a18af7400e48c02a6e489f0d5d668a90cdd2746e8e22e2")
depends_on("zstd", when="@:4.2.1", type="build")
depends_on("libevent", type="run")
depends_on("libpciaccess", type="run")
# Map Orca version with the required OpenMPI version
openmpi_versions = {"4.0.1.2": "2.0.2", "4.2.0": "3.1.4", "4.2.1": "3.1.4", "5.0.3": "4.1.2"}
# OpenMPI@4.1.1 has issues in pmix environments, hence 4.1.2 here
openmpi_versions = {"4.2.0": "3.1.4", "4.2.1": "3.1.4", "5.0.3": "4.1.2"}
for orca_version, openmpi_version in openmpi_versions.items():
depends_on(
"openmpi@{0}".format(openmpi_version), type="run", when="@{0}".format(orca_version)
)
def url_for_version(self, version):
out = "file://{0}/orca_{1}_linux_x86-64_openmpi{2}.tar.zst"
return out.format(os.getcwd(), version.underscored, self.openmpi_versions[version.string])
openmpi_version = self.openmpi_versions[str(version.dotted)].replace(".", "")
if openmpi_version == "412":
openmpi_version = "411"
return f"file://{os.getcwd()}/orca_{version.underscored}_linux_x86-64_shared_openmpi{openmpi_version}.tar.xz"
def install(self, spec, prefix):
mkdirp(prefix.bin)
if self.spec.satisfies("@:4.2.1"):
vername = os.path.basename(self.stage.archive_file).split(".")[0]
zstd = which("zstd")
zstd("-d", self.stage.archive_file, "-o", vername + ".tar")
tar = which("tar")
tar("-xvf", vername + ".tar")
# there are READMEs in there but they don't hurt anyone
install_tree(vername, prefix.bin)
else:
install_tree(".", prefix.bin)
install_tree(".", prefix.bin)
# Check "mpirun" usability when building against OpenMPI
# with Slurm scheduler and add a "mpirun" wrapper that