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| author | snehring <7978778+snehring@users.noreply.github.com> | 2022-11-04 06:26:59 -0500 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2022-11-04 12:26:59 +0100 |
| commit | 49d7aa21fdd1c843a543e9972cde5b0d055c6d0b (patch) | |
| tree | d44d6bb0274aea8b97d65121e116bd0d5f9558ce /var | |
| parent | 1d4919924de9743f7ec6f47616d2c67d3074648b (diff) | |
| download | spack-49d7aa21fdd1c843a543e9972cde5b0d055c6d0b.tar.gz spack-49d7aa21fdd1c843a543e9972cde5b0d055c6d0b.tar.bz2 spack-49d7aa21fdd1c843a543e9972cde5b0d055c6d0b.tar.xz spack-49d7aa21fdd1c843a543e9972cde5b0d055c6d0b.zip | |
orca: add v5.0.3 (#33649)
Diffstat (limited to 'var')
| -rw-r--r-- | var/spack/repos/builtin/packages/orca/package.py | 34 |
1 files changed, 22 insertions, 12 deletions
diff --git a/var/spack/repos/builtin/packages/orca/package.py b/var/spack/repos/builtin/packages/orca/package.py index 997cd569d6..af4078cfb7 100644 --- a/var/spack/repos/builtin/packages/orca/package.py +++ b/var/spack/repos/builtin/packages/orca/package.py @@ -19,9 +19,15 @@ class Orca(Package): 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 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, @@ -37,10 +43,10 @@ class Orca(Package): expand=False, ) - depends_on("zstd", type="build") + depends_on("zstd", when="@:4.2.1", type="build") # 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"} + 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"} for orca_version, openmpi_version in openmpi_versions.items(): depends_on( "openmpi@{0}".format(openmpi_version), type="run", when="@{0}".format(orca_version) @@ -51,20 +57,21 @@ class Orca(Package): return out.format(os.getcwd(), version.underscored, self.openmpi_versions[version.string]) def install(self, spec, prefix): - # we have to extract the archive ourself - # fortunately it's just full of a bunch of binaries + mkdirp(prefix.bin) - vername = os.path.basename(self.stage.archive_file).split(".")[0] + 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") + zstd = which("zstd") + zstd("-d", self.stage.archive_file, "-o", vername + ".tar") - tar = which("tar") - tar("-xvf", vername + ".tar") + tar = which("tar") + tar("-xvf", vername + ".tar") - # there are READMEs in there but they don't hurt anyone - mkdirp(prefix.bin) - install_tree(vername, prefix.bin) + # there are READMEs in there but they don't hurt anyone + install_tree(vername, prefix.bin) + else: + install_tree(".", prefix.bin) # Check "mpirun" usability when building against OpenMPI # with Slurm scheduler and add a "mpirun" wrapper that @@ -72,3 +79,6 @@ class Orca(Package): if "^openmpi ~legacylaunchers schedulers=slurm" in self.spec: mpirun_srun = join_path(os.path.dirname(__file__), "mpirun_srun.sh") install(mpirun_srun, prefix.bin.mpirun) + + def setup_run_environment(self, env): + env.prepend_path("LD_LIBRARY_PATH", self.prefix.bin) |