Hello Psi4 now has a MACOS Silicon download option:
I used Installer, 3.11 (newest version); Stable Release, v1.8.0. (Clicking the download did not function so I used the commands (see-screenshot labeled 1).). All of the commands functioned, however, the last command psi4 --test did not function upon execution exhibiting:
zsh: command not found: psi4 (see screenshot labeled 1).
(And all of the other versions tried precipitated this same zsh: command not found: psi4.)
Also see screenshot labeled 2 exhibiting my working directory exhibiting psi4 and psi4conda folders.
I think psi4 loaded but why does this last command seem not to function?
(I used INSTALLER since when I tried CONDA all version exhibited conflicts and Docker and Source are not available for MACOS Silicon.)
Thanks if you know:)
I’ll try to respond in more detail later, but here’s a few thoughts.
- try switching your shell to
bash before running the installer or trying to run psi4. I think Mac may have switched their default shell from bash to zsh, as I get messages like that, too, about my miniconda installation when opening a new shell tab.
- my understanding (I don’t use docker myself) is that non-Linux docker use a VM and the Linux docker image, so the Linux one might yet be of use.
- download button not working is to be expected. at least at one point about a year ago, some browsers only worked when that button was http and other browsers only worked when it was https. But the cmd always works
- regarding
conda install conflicts, I’d do a separate environment conda create -n p4env psi4 ... -c conda-forge . it could be that your main env is defaults-based or has a lot of packages, so it’ll solve easier into a separate env, to which you can then add more packages as you need.
Thanks for the detailed post.
Hello loriab and thank you for your kind update:),
yes I switched t bash and believe my download functioned this time however I precipitated skipped, failed and warnings, please see the paste below and let me know if my output is satisfactory regardless and my Psi4 is properly downloaded? Thanks if you know and can help:)
(base) Joels-MacBook-Air:~ joelsubach$
(base) Joels-MacBook-Air:~ joelsubach$ chsh -s /bin/bash
Changing shell for joelsubach.
Password for joelsubach:
chsh: no changes made
(base) Joels-MacBook-Air:~ joelsubach$
Session Restarted
Last login: Wed Jun 7 11:37:28 on ttys001
The default interactive shell is now zsh.
To update your account to use zsh, please run chsh -s /bin/zsh.
For more details, please visit Use zsh as the default shell on your Mac - Apple Support.
(base) Joels-MacBook-Air:~ joelsubach$ psi4 --test
============================= test session starts ==============================
platform darwin – Python 3.10.4, pytest-7.1.2, pluggy-1.0.0 – /Users/joelsubach/psi4conda/bin/python3.10
cachedir: .pytest_cache
rootdir: /Users/joelsubach/psi4conda/lib/python3.10/site-packages/psi4, configfile: pytest.ini
collected 4121 items / 4029 deselected / 92 selected
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py::test_gdma PASSED [ 1%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py::test_ipi_broker1 SKIPPED [ 2%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py::test_ipi_broker2 SKIPPED [ 3%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py::test_mrcc SKIPPED [ 4%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py::test_chemps2 PASSED [ 5%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py::test_mp2d PASSED [ 6%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py::test_dftd3 PASSED [ 7%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py::test_libefp LIBEFP: parameters for fragment “NH3” are already loaded
PASSED [ 8%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py::test_pcmsolver[pcm_helper] PASSED [ 9%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py::test_erd SKIPPED [ 10%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py::test_simint PASSED [ 11%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py::test_run_json PASSED [ 13%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py::test_run_qcschema PASSED [ 14%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py::test_cfour SKIPPED [ 15%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py::test_v2rdm_casscf PASSED [ 16%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py::test_gpu_dfcc SKIPPED [ 17%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py::test_grimme_3c PASSED [ 18%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py::test_dkh PASSED [ 19%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py::test_snsmp2 PASSED [ 20%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py::test_resp PASSED [ 21%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py::test_resp_2 PASSED [ 22%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py::test_psi4fockci SKIPPED [ 23%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py::test_cppe SKIPPED [ 25%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py::test_cct3 SKIPPED [ 26%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py::test_psixas SKIPPED [ 27%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py::test_dftd4 SKIPPED [ 28%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons_qcschema.py::test_gdma XFAIL [ 29%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons_qcschema.py::test_ipi_broker1 SKIPPED [ 30%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons_qcschema.py::test_chemps2 PASSED [ 31%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons_qcschema.py::test_mp2d PASSED [ 32%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons_qcschema.py::test_dftd3 PASSED [ 33%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons_qcschema.py::test_libefp XFAIL [ 34%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons_qcschema.py::test_pcmsolver PASSED [ 35%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons_qcschema.py::test_integrals[libint2] PASSED [ 36%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons_qcschema.py::test_integrals[simint] PASSED [ 38%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons_qcschema.py::test_json PASSED [ 39%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons_qcschema.py::test_v2rdm_casscf PASSED [ 40%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons_qcschema.py::test_grimme_3c PASSED [ 41%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons_qcschema.py::test_dkh PASSED [ 42%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons_qcschema.py::test_snsmp2 PASSED [ 43%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons_qcschema.py::test_resp XFAIL [ 44%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons_qcschema.py::test_psi4fockci SKIPPED [ 45%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons_qcschema.py::test_cppe SKIPPED [ 46%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_mdi.py::test_mdi_water SKIPPED [ 47%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_option.py::test_spacious_option PASSED [ 48%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_psi4.py::test_psi4_basic PASSED [ 50%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_psi4.py::test_psi4_cc PASSED [ 51%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_psi4.py::test_psi4_cas PASSED [ 52%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_psi4.py::test_psi4_dfmp2 PASSED [ 53%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_psi4.py::test_psi4_sapt PASSED [ 54%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_psi4.py::test_psi4_scfproperty PASSED [ 55%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_psi4_qcschema.py::test_psi4_basic PASSED [ 56%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_psi4_qcschema.py::test_psi4_cc XFAIL [ 57%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_psi4_qcschema.py::test_psi4_cas PASSED [ 58%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_psi4_qcschema.py::test_psi4_dfmp2 PASSED [ 59%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_psi4_qcschema.py::test_psi4_sapt PASSED [ 60%]
psi4conda/lib/python3.10/site-packages/psi4/tests/test_psi4_qcschema.py::test_psi4_scfproperty PASSED [ 61%]
psi4conda/lib/python3.10/site-packages/psi4/tests/casscf-sp/test_input.py::test_casscf_sp PASSED [ 63%]
psi4conda/lib/python3.10/site-packages/psi4/tests/cc1/test_input.py::test_cc1 PASSED [ 64%]
psi4conda/lib/python3.10/site-packages/psi4/tests/chemps2/scf-n2/test_input.py::test_chemps2_scf_n2 PASSED [ 65%]
psi4conda/lib/python3.10/site-packages/psi4/tests/ddd-deriv/test_input.py::test_ddd_deriv PASSED [ 66%]
psi4conda/lib/python3.10/site-packages/psi4/tests/dfmp2-1/test_input.py::test_dfmp2_1 PASSED [ 67%]
psi4conda/lib/python3.10/site-packages/psi4/tests/dftd3/energy/test_input.py::test_dftd3_energy PASSED [ 68%]
psi4conda/lib/python3.10/site-packages/psi4/tests/dftd4/energy/test_input.py::test_dftd4_energy SKIPPED [ 69%]
psi4conda/lib/python3.10/site-packages/psi4/tests/dkh/molpro-2order/test_input.py::test_dkh_molpro_2order PASSED [ 70%]
psi4conda/lib/python3.10/site-packages/psi4/tests/fcidump/test_input.py::test_fcidump PASSED [ 71%]
psi4conda/lib/python3.10/site-packages/psi4/tests/fsapt-d/test_input.py::test_fsapt_d PASSED [ 72%]
psi4conda/lib/python3.10/site-packages/psi4/tests/gcp/hf3c/test_input.py::test_gcp_hf3c PASSED [ 73%]
psi4conda/lib/python3.10/site-packages/psi4/tests/gdma/gdma1/test_input.py::test_gdma_gdma1 PASSED [ 75%]
psi4conda/lib/python3.10/site-packages/psi4/tests/json/schema-1-gradient/test_input.py::test_json_schema_1_gradient PASSED [ 76%]
psi4conda/lib/python3.10/site-packages/psi4/tests/libefp/qchem-qmefp-sp/test_input.py::test_libefp_qchem_qmefp_sp PASSED [ 77%]
psi4conda/lib/python3.10/site-packages/psi4/tests/mrcc/ccsdt/test_input.py::test_mrcc_ccsdt SKIPPED [ 78%]
psi4conda/lib/python3.10/site-packages/psi4/tests/pcmsolver/alpha/test_input.py::test_pcmsolver_alpha PASSED [ 79%]
psi4conda/lib/python3.10/site-packages/psi4/tests/pcmsolver/ghost/test_input.py::test_pcmsolver_ghost PASSED [ 80%]
psi4conda/lib/python3.10/site-packages/psi4/tests/pcmsolver/opt-fd/test_input.py::test_pcmsolver_opt_fd PASSED [ 81%]
psi4conda/lib/python3.10/site-packages/psi4/tests/pcmsolver/scf/test_input.py::test_pcmsolver_scf PASSED [ 82%]
psi4conda/lib/python3.10/site-packages/psi4/tests/pcmsolver/tdscf/test_input.py::test_pcmsolver_tdscf PASSED [ 83%]
psi4conda/lib/python3.10/site-packages/psi4/tests/pcmsolver/uhf-tdscf/test_input.py::test_pcmsolver_uhf_tdscf PASSED [ 84%]
psi4conda/lib/python3.10/site-packages/psi4/tests/psi4numpy/rhf/test_input.py::test_psi4numpy_rhf PASSED [ 85%]
psi4conda/lib/python3.10/site-packages/psi4/tests/psi4numpy/rhf-hessian/test_input.py::test_psi4numpy_rhf_hessian PASSED [ 86%]
psi4conda/lib/python3.10/site-packages/psi4/tests/python/energy/test_input.py::test_python_energy PASSED [ 88%]
psi4conda/lib/python3.10/site-packages/psi4/tests/sapt0-d/test_input.py::test_sapt0_d PASSED [ 89%]
psi4conda/lib/python3.10/site-packages/psi4/tests/sapt1/test_input.py::test_sapt1 PASSED [ 90%]
psi4conda/lib/python3.10/site-packages/psi4/tests/scf-property/test_input.py::test_scf_property PASSED [ 91%]
psi4conda/lib/python3.10/site-packages/psi4/tests/simint/scf5/test_input.py::test_simint_scf5 PASSED [ 92%]
psi4conda/lib/python3.10/site-packages/psi4/tests/snsmp2/he-he/test_input.py::test_snsmp2_he_he PASSED [ 93%]
psi4conda/lib/python3.10/site-packages/psi4/tests/tdscf-1/test_input.py::test_tdscf_1 PASSED [ 94%]
psi4conda/lib/python3.10/site-packages/psi4/tests/tdscf-2/test_input.py::test_tdscf_2 PASSED [ 95%]
psi4conda/lib/python3.10/site-packages/psi4/tests/tdscf-3/test_input.py::test_tdscf_3 PASSED [ 96%]
psi4conda/lib/python3.10/site-packages/psi4/tests/tdscf-4/test_input.py::test_tdscf_4 PASSED [ 97%]
psi4conda/lib/python3.10/site-packages/psi4/tests/tu1-h2o-energy/test_input.py::test_tu1_h2o_energy PASSED [ 98%]
psi4conda/lib/python3.10/site-packages/psi4/tests/v2rdm_casscf/v2rdm3/test_input.py::test_v2rdm_casscf_v2rdm3 PASSED [100%]
=============================== warnings summary ===============================
tests/test_addons.py: 22 warnings
tests/test_addons_qcschema.py: 21 warnings
tests/test_psi4.py: 3 warnings
tests/test_psi4_qcschema.py: 3 warnings
Using the local_options keyword argument is deprecated in favor of using task_config, in version 0.30.0 it will stop working.
– Docs: How to capture warnings — pytest documentation
=========================== short test summary info ============================
SKIPPED [1] psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py:69: Not detecting module ipi. Install package if necessary to enable tests.
SKIPPED [1] psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py:129: Not detecting module ipi. Install package if necessary to enable tests.
SKIPPED [1] psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py:164: Not detecting module mrcc. Install package if necessary to enable tests.
SKIPPED [1] psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py:735: Not detecting module erd. Install package if necessary to enable tests.
SKIPPED [1] psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py:819: Not detecting module cfour. Install package if necessary to enable tests.
SKIPPED [1] psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py:904: Not detecting module gpu_dfcc. Install package if necessary to enable tests.
SKIPPED [1] psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py:1235: Not detecting module fockci. Install package if necessary to enable tests.
SKIPPED [1] psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py:1259: Not detecting module cppe. Install package if necessary to enable tests.
SKIPPED [1] psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py:1286: Not detecting module cct3. Install package if necessary to enable tests.
SKIPPED [1] psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py:1332: Not detecting module psixas. Install package if necessary to enable tests.
SKIPPED [1] psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons.py:1363: Not detecting module dftd4. Install package if necessary to enable tests.
SKIPPED [1] psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons_qcschema.py:75: Not detecting module ipi. Install package if necessary to enable tests.
SKIPPED [1] psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons_qcschema.py:689: Not detecting module fockci. Install package if necessary to enable tests.
SKIPPED [1] psi4conda/lib/python3.10/site-packages/psi4/tests/test_addons_qcschema.py:709: Not detecting module cppe. Install package if necessary to enable tests.
SKIPPED [1] psi4conda/lib/python3.10/site-packages/psi4/tests/test_mdi.py:11: Not detecting module mdi. Install package if necessary to enable tests.
SKIPPED [1] psi4conda/lib/python3.10/site-packages/psi4/tests/dftd4/energy/test_input.py:3: Not detecting module dftd4. Install package if necessary to enable tests.
SKIPPED [1] psi4conda/lib/python3.10/site-packages/psi4/tests/mrcc/ccsdt/test_input.py:3: Not detecting module mrcc. Install package if necessary to enable tests.
= 71 passed, 17 skipped, 4029 deselected, 4 xfailed, 49 warnings in 283.39s (0:04:43) =
(base) Joels-MacBook-Air:~ joelsubach$
(base) Joels-MacBook-Air:~ joelsubach$
Great, I’m glad bash did the trick. I’ll see about how to consider zsh in the download directions. Yes, your testing output looks good. Anything besides outright failed is satisfactory Compiling and Installing from Source .
Hello loriab ok thank you so much for all of your kind assistance:)
