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unable to install on ubuntu #1586
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That's because there's no longer a py35 among the "latest" release. I'm retiring those docs. Please follow the commands at https://admiring-tesla-08529a.netlify.com/installs/v13/ (linked off "Downloads" from psicode.org). You'll want to select Linux/Installer/"Stable Release". Thanks for pointing out ways we're leading people astray. |
I want to download windows WSL |
Ah, then choose the "Windows WSL" button instead (I forgot that "Ubuntu") could mean both. The binaries are actually identical btwn Linux and WSL. |
dabu@RES-SHANTIPA:/mnt/c/Windows/System32$ curl "https://vergil.chemistry.gatech.edu/psicode-download/Psi4conda-1.3-py36-WindowsWSL-x86_64.sh" -o Psi4conda-1.3-py36-WindowsWSL-x86_64.sh --keepalive-time 2 |
@patrashantigopal your problem is that you're trying to write to a directory that you don't have permissions to. |
can I write it in another directory something like c/Users/shantigp/projects |
dabu@RES-SHANTIPA:/mnt/c/Users/shantigp/projects$ curl "https://vergil.chemistry.gatech.edu/psicode-download/Psi4conda-1.3-py36-Linux-x86_64.sh" -o Psi4conda-1.3-py36-Linux-x86_64.sh --keepalive-time 2 |
Please look at the test result now: (base) dabu@RES-SHANTIPA:/mnt/c/Users/shantigp/projects/psi4conda/bin$ psi4 --test ../lib/python3.6/site-packages/psi4/tests/test_addons.py::test_gdma PASSED [ 4%] ======================================================= FAILURES ======================================================= molrec = {'elbl': ['', '', '', '', '', '', ...], 'elea': [12, 12, 1, 1, 1, 1, ...], 'elem': ['C', 'C', 'H', 'H', 'H', 'H', ...], 'elez': [6, 6, 1, 1, 1, 1, ...], ...}
../lib/python3.6/site-packages/psi4/driver/qcdb/intf_dftd3/runner.py:131: jobrec = {'driver': 'gradient', 'error': "Dftd3Error('Unsuccessful run. Possibly -D variant not available in dftd3 version.',)"...a': [12, 12, 1, 1, 1, 1, ...], 'elem': ['C', 'C', 'H', 'H', 'H', 'H', ...], 'elez': [6, 6, 1, 1, 1, 1, ...], ...}, ...}
../lib/python3.6/site-packages/psi4/driver/qcdb/intf_dftd3/runner.py:183: jobrec = {'driver': 'gradient', 'error': "Dftd3Error('Unsuccessful run. Possibly -D variant not available in dftd3 version.',)"...a': [12, 12, 1, 1, 1, 1, ...], 'elem': ['C', 'C', 'H', 'H', 'H', 'H', ...], 'elez': [6, 6, 1, 1, 1, 1, ...], ...}, ...}
E psi4.driver.qcdb.exceptions.Dftd3Error: Unsuccessful run. Possibly -D variant not available in dftd3 version. ../lib/python3.6/site-packages/psi4/driver/qcdb/intf_dftd3/runner.py:301: Dftd3Error The above exception was the direct cause of the following exception:
../lib/python3.6/site-packages/psi4/tests/test_addons.py:202: ../lib/python3.6/site-packages/psi4/driver/qcdb/molecule.py:1298: in run_dftd3 molrec = {'elbl': ['', '', '', '', '', '', ...], 'elea': [12, 12, 1, 1, 1, 1, ...], 'elem': ['C', 'C', 'H', 'H', 'H', 'H', ...], 'elez': [6, 6, 1, 1, 1, 1, ...], ...}
E RuntimeError: Unsuccessful run. Possibly -D variant not available in dftd3 version. ../lib/python3.6/site-packages/psi4/driver/qcdb/intf_dftd3/runner.py:135: RuntimeError Dftd3Error: Unsuccessful run. Possibly -D variant not available in dftd3 version. ____________________________________________________ test_grimme_3c ____________________________________________________ molrec = {'elbl': ['', '', '', ''], 'elea': [12, 12, 1, 1], 'elem': ['C', 'C', 'H', 'H'], 'elez': [6, 6, 1, 1], ...}
../lib/python3.6/site-packages/psi4/driver/qcdb/intf_dftd3/runner.py:131: jobrec = {'driver': 'energy', 'error': "Dftd3Error('Unsuccessful run. Possibly -D variant not available in dftd3 version.',)", ...ule': {'elbl': ['', '', '', ''], 'elea': [12, 12, 1, 1], 'elem': ['C', 'C', 'H', 'H'], 'elez': [6, 6, 1, 1], ...}, ...}
../lib/python3.6/site-packages/psi4/driver/qcdb/intf_dftd3/runner.py:183: jobrec = {'driver': 'energy', 'error': "Dftd3Error('Unsuccessful run. Possibly -D variant not available in dftd3 version.',)", ...ule': {'elbl': ['', '', '', ''], 'elea': [12, 12, 1, 1], 'elem': ['C', 'C', 'H', 'H'], 'elez': [6, 6, 1, 1], ...}, ...}
E psi4.driver.qcdb.exceptions.Dftd3Error: Unsuccessful run. Possibly -D variant not available in dftd3 version. ../lib/python3.6/site-packages/psi4/driver/qcdb/intf_dftd3/runner.py:301: Dftd3Error The above exception was the direct cause of the following exception:
../lib/python3.6/site-packages/psi4/tests/test_addons.py:830: ../lib/python3.6/site-packages/psi4/driver/driver.py:494: in energy molrec = {'elbl': ['', '', '', ''], 'elea': [12, 12, 1, 1], 'elem': ['C', 'C', 'H', 'H'], 'elez': [6, 6, 1, 1], ...}
E RuntimeError: Unsuccessful run. Possibly -D variant not available in dftd3 version. ../lib/python3.6/site-packages/psi4/driver/qcdb/intf_dftd3/runner.py:135: RuntimeError Dftd3Error: Unsuccessful run. Possibly -D variant not available in dftd3 version. =============================================== short test summary info ================================================ |
The warning is fine -- https://forum.psicode.org/t/numpy-ufunc-size-change-warning/1305?u=loriab . The dftd3 error is curious. May be related to MolSSI/QCEngine#45 . Can probe later (most everyone Psi4 is away at a conference next week). Unless DFT-D3 was your target, you're installed, passing, and ready to run. |
original issue resolved, and dftd3 issue covered by #1587, so closing |
dabu@RES-SHANTIPA:/mnt/c/Windows/System32$ curl -O "https://vergil.chemistry.gatech.edu/download/Psi4conda-latest-py35-Windows-x86_64.sh"
% Total % Received % Xferd Average Speed Time Time Time Current
Dload Upload Total Spent Left Speed
0 0 0 0 0 0 0 0 --:--:-- --:--:-- --:--:-- 0Warning: Failed to create the file Psi4conda-latest-py35-Windows-x86_64.sh:
Warning: Permission denied
100 246 100 246 0 0 710 0 --:--:-- --:--:-- --:--:-- 710
curl: (23) Failed writing body (0 != 246)
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