From a37f5bf2eb833a0059e8262ed82b91bcc6ca59e1 Mon Sep 17 00:00:00 2001 From: John LaGrone Date: Thu, 11 Jun 2026 12:39:04 -0500 Subject: [PATCH] add qcpbc to modules --- modules/m3/applications/testing/qchem/mpi/7.0.0b.lua | 1 + modules/m3/applications/testing/qchem/shared_memory/7.0.0b.lua | 1 + 2 files changed, 2 insertions(+) diff --git a/modules/m3/applications/testing/qchem/mpi/7.0.0b.lua b/modules/m3/applications/testing/qchem/mpi/7.0.0b.lua index 3f16f453..c41c01a6 100644 --- a/modules/m3/applications/testing/qchem/mpi/7.0.0b.lua +++ b/modules/m3/applications/testing/qchem/mpi/7.0.0b.lua @@ -7,6 +7,7 @@ local scratch_dir = os.getenv("SCRATCH") setenv("QCSCRATCH", scratch_dir) setenv("QCMPIRUN", "/hpc/sys/apps/slurm/current/bin/srun") source_sh('bash', '/hpc/m3/apps/q-chem/7.0.0b/cluster/qcenv.sh') +source_sh('bash', '/hpc/m3/apps/q-chem/7.0.0b/cluster/qcpbc.sh') help([[Name: Q-Chem Version: 7.0.0b diff --git a/modules/m3/applications/testing/qchem/shared_memory/7.0.0b.lua b/modules/m3/applications/testing/qchem/shared_memory/7.0.0b.lua index f9e4668f..e2790214 100644 --- a/modules/m3/applications/testing/qchem/shared_memory/7.0.0b.lua +++ b/modules/m3/applications/testing/qchem/shared_memory/7.0.0b.lua @@ -4,6 +4,7 @@ family("qchem") local scratch_dir = os.getenv("SCRATCH") setenv("QCSCRATCH", scratch_dir) source_sh('bash', '/hpc/m3/apps/q-chem/7.0.0b/shared_memory/qcenv.sh') +source_sh('bash', '/hpc/m3/apps/q-chem/7.0.0b/shared_memory/qcpbc.sh') help([[Name: Q-Chem Version: 7.0.0b