|
134 | 134 | 'HTCondor': 'condor_submit', |
135 | 135 | } |
136 | 136 |
|
137 | | -delete_command = {'OGE': 'export SGE_ROOT=/opt/sge; /opt/sge/bin/scancel', |
| 137 | +delete_command = {'OGE': 'export SGE_ROOT=/opt/sge; /opt/sge/bin/lx24-amd64/qdel', |
138 | 138 | 'Slurm': '/usr/bin/scancel', |
139 | 139 | 'PBS': '/usr/local/bin/qdel', |
140 | 140 | 'HTCondor': 'condor_rm', |
|
319 | 319 | ARC_FAMILIES_PATH = os.path.join(os.path.dirname(os.path.dirname(os.path.dirname(os.path.abspath(__file__)))), 'data', 'families') |
320 | 320 |
|
321 | 321 | # Default environment names for sister repos |
322 | | -TS_GCN_PYTHON, TANI_PYTHON, AUTOTST_PYTHON, ARC_PYTHON, XTB, OB_PYTHON, RMG_PYTHON, RMG_PATH, RMG_DB_PATH = \ |
323 | | - None, None, None, None, None, None, None, None, None |
| 322 | +TS_GCN_PYTHON, TANI_PYTHON, AUTOTST_PYTHON, ARC_PYTHON, XTB, XTB_PYTHON, OB_PYTHON, RMG_PYTHON, RMG_PATH, RMG_DB_PATH = \ |
| 323 | + None, None, None, None, None, None, None, None, None, None |
324 | 324 |
|
325 | 325 | home = os.getenv("HOME") or os.path.expanduser("~") |
326 | 326 |
|
@@ -362,6 +362,7 @@ def find_executable(env_name, executable_name='python'): |
362 | 362 | TS_GCN_PYTHON = find_executable('ts_gcn') |
363 | 363 | AUTOTST_PYTHON = find_executable('tst_env') |
364 | 364 | ARC_PYTHON = find_executable('arc_env') |
| 365 | +XTB_PYTHON = find_executable('xtb_env') |
365 | 366 | RMG_ENV_NAME = 'rmg_env' |
366 | 367 | RMG_PYTHON = find_executable('rmg_env') |
367 | 368 | XTB = find_executable('xtb_env', 'xtb') |
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