diff options
| -rw-r--r-- | var/spack/repos/builtin/packages/orca/package.py | 48 |
1 files changed, 10 insertions, 38 deletions
diff --git a/var/spack/repos/builtin/packages/orca/package.py b/var/spack/repos/builtin/packages/orca/package.py index d5c111c818..6b7c93c32a 100644 --- a/var/spack/repos/builtin/packages/orca/package.py +++ b/var/spack/repos/builtin/packages/orca/package.py @@ -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 |