diff options
| -rw-r--r-- | var/spack/repos/builtin/packages/orca/package.py | 20 |
1 files changed, 18 insertions, 2 deletions
diff --git a/var/spack/repos/builtin/packages/orca/package.py b/var/spack/repos/builtin/packages/orca/package.py index 781eff3d7a..8ee484d20b 100644 --- a/var/spack/repos/builtin/packages/orca/package.py +++ b/var/spack/repos/builtin/packages/orca/package.py @@ -23,6 +23,11 @@ class Orca(Package): manual_download = True version( + "5.0.3-f.1", + sha256="dea377459d61ef7d7e822e366420197ee2a4864991dfcdc4ea1a683f9be26c7f", + url="file://{0}/orca-5.0.3-f.1_linux_x86-64_shared_openmpi41.tar.xz".format(os.getcwd()), + ) + version( "5.0.3", sha256="b8b9076d1711150a6d6cb3eb30b18e2782fa847c5a86d8404b9339faef105043", url="file://{0}/orca_5_0_3_linux_x86-64_shared_openmpi411.tar.xz".format(os.getcwd()), @@ -46,7 +51,13 @@ class Orca(Package): 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", "5.0.3": "4.1.2"} + 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", + "5.0.3-f.1": "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) @@ -70,6 +81,9 @@ class Orca(Package): # there are READMEs in there but they don't hurt anyone install_tree(vername, prefix.bin) + if self.spec.satisfies("@5.0.3-f.1"): + install_tree("bin", prefix.bin) + install_tree("lib", prefix.lib) else: install_tree(".", prefix.bin) @@ -81,4 +95,6 @@ class Orca(Package): install(mpirun_srun, prefix.bin.mpirun) def setup_run_environment(self, env): - env.prepend_path("LD_LIBRARY_PATH", self.prefix.bin) + # In 5.0.3-f.1 an RPATH is set to $ORGIN/../lib + if not self.spec.satisfies("@5.0.3-f.1"): + env.prepend_path("LD_LIBRARY_PATH", self.prefix.bin) |