Problems with Psi4 installation

In summary, I wanted to install Psi4 on my Windows 10. Downloading itself was without any problem, but then, when I clicked on a downloaded .exe file, this occured: Eventually, I overcame the problem by using Command Prompt and then the installation started. But at its end, this occured: I think it can be caused by a name of destination folder, but I tried everything I could and the problem persists. I don't have any Python or something like that on my PC. When I chose "Install for all users", then it didn't work at all.
  • #1
Lotto
213
12
TL;DR Summary
I can't install Psi4 on my Windows 10.
I wanted to install Psi4 on my Windows 10. Downloading itself was without any problem, but then, when I clicked on a downloaded .exe file, this occured:
error 1.png

Eventually, I overcame the problem by using Command Prompt and then the installation started. But at its end, this occured:
Error.png

I know it can be caused by a name of destination folder, but I tried everything I could and the problem persists. I don't have any Python or something like that on my PC. When I chose "Install for all users", then it didn't work at all. I tried to download the .exe file again, even an older version, but it was in vain. Do you have any ideas how to fix the problem?
 
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  • #2
I think you need to clean out all references to anaconda and redownload the package. Cleaning up anaconda install, you may need to search for how to do that as it may have installed registry keys and in other directories besides its own.

I am a little concerned that the exe is malware so you should do a google search to see if others have run across a similar problem.
 
  • #3
jedishrfu said:
I think you need to clean out all references to anaconda and redownload the package. Cleaning up anaconda install, you may need to search for how to do that as it may have installed registry keys and in other directories besides its own.

I am a little concerned that the exe is malware so you should do a google search to see if others have run across a similar problem.
Well, I don't think it is a malware, since it is a file from the official Psi4 website. Moreover, when I ran an antivirus test, nothing was found.

But it is true that my antivirus programme warns me against this programme, but that is because it is from an unknown source.
 
  • #6
jedishrfu said:
Heres the Psi4 install instructions for windows and it says to install anaconda first.

https://psicode.org/posts/psi4education_setup/

Is this what you are trying to do?
I tried that when I had Anaconda on my PC, but the result was the same. Now I have Anaconda removed (I removed everything that had something to do with it).
 
  • #7
jedishrfu said:
Heres the Psi4 install instructions for windows and it says to install anaconda first.

https://psicode.org/posts/psi4education_setup/

Is this what you are trying to do?
I installed Anaconda3 and used this command: conda install psi4 python=3.8 -c psi4 -c conda-forge (that is from here https://psicode.org/installs/v17/). I suppose that Psi4 should install now, but it doesn't completely work, since this occured:
anaconda.png

So it started to install, but then this error happened. I had had similar SSL error before, but that should be already fixed. But this error I can't fix. What should I do?
 
Last edited:
  • #8
I don't think I can be of much help here, but for the sake of others who might be able to help, the screen shot you posted is too small to read. It would be helpful if you could copy the text of the error messages, and then post that stuff directly in your post, rather than as an image.
 
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Likes Wrichik Basu and jedishrfu
  • #10
I have recently had several sites that will not connect due to SSL incompatibility. One of those is an e-mail account that requires advertisement display from a 3rd party before allowing access.

There must be a "New-And-Improved" SSL level that some sites insist on using exclusively. :cry:

Anyone have a solution?
 
  • #11
Mark44 said:
I don't think I can be of much help here, but for the sake of others who might be able to help, the screen shot you posted is too small to read. It would be helpful if you could copy the text of the error messages, and then post that stuff directly in your post, rather than as an image.
Ok, so this is the whole report:
Code: 
(base) C:\Users\Beda>conda activate p4env

(p4env) C:\Users\Beda>conda config --set ssl_verify false

(p4env) C:\Users\Beda> conda install psi4 python=3.8 -c psi4 -c conda-forge
Collecting package metadata (current_repodata.json): done
Solving environment: failed with initial frozen solve. Retrying with flexible solve.
Solving environment: failed with repodata from current_repodata.json, will retry with next repodata source.
Collecting package metadata (repodata.json): done
Solving environment: done==> WARNING: A newer version of conda exists. <==
  current version: 22.9.0
  latest version: 23.1.0

Please update conda by running

    $ conda update -n base -c defaults condaWARNING conda.gateways.disk.delete:unlink_or_rename_to_trash(143): Could not remove or rename C:\Users\Beda\anaconda3\pkgs\libint2-2.6.0-h2e52968_4.tar.bz2.  Please remove this file manually (you may need to reboot to free file handles)
WARNING conda.gateways.disk.delete:unlink_or_rename_to_trash(143): Could not remove or rename C:\Users\Beda\anaconda3\pkgs\libxc-5.2.3-py38h91455d4_2.tar.bz2.  Please remove this file manually (you may need to reboot to free file handles)
WARNING conda.gateways.disk.delete:unlink_or_rename_to_trash(143): Could not remove or rename C:\Users\Beda\anaconda3\pkgs\psi4-1.7+6ce35a5-py38_0.tar.bz2.  Please remove this file manually (you may need to reboot to free file handles)

## Package Plan ##

  environment location: C:\Users\Beda\anaconda3\envs\p4env

  added / updated specs:
    - psi4
    - python=3.8The following packages will be downloaded:

    package                    |            build
    ---------------------------|-----------------
    libint2-2.6.0              |       h2e52968_4        69.1 MB  psi4
    libxc-5.2.3                |   py38h91455d4_2        30.4 MB  conda-forge
    mkl-2019.1                 |              144        99.8 MB
    psi4-1.7+6ce35a5           |           py38_0        67.0 MB  psi4
    python-3.8.15              |h4de0772_1_cpython        15.5 MB  conda-forge
    ------------------------------------------------------------
                                           Total:       281.9 MB

The following NEW packages will be INSTALLED:

  attrs              conda-forge/noarch::attrs-22.2.0-pyh71513ae_0 None
  bzip2              conda-forge/win-64::bzip2-1.0.8-h8ffe710_4 None
  ca-certificates    conda-forge/win-64::ca-certificates-2022.12.7-h5b45459_0 None
  cffi               conda-forge/win-64::cffi-1.15.1-py38h57701bc_3 None
  colorama           conda-forge/noarch::colorama-0.4.6-pyhd8ed1ab_0 None
  dftd3-python       conda-forge/win-64::dftd3-python-0.6.0-py38heb50f4f_1 None
  exceptiongroup     conda-forge/noarch::exceptiongroup-1.1.0-pyhd8ed1ab_0 None
  gau2grid           conda-forge/win-64::gau2grid-2.0.7-hcb41399_1 None
  gcp-correction     conda-forge/win-64::gcp-correction-2.3.1-ha368592_2 None
  importlib-metadata conda-forge/noarch::importlib-metadata-6.0.0-pyha770c72_0 None
  importlib_metadata conda-forge/noarch::importlib_metadata-6.0.0-hd8ed1ab_0 None
  importlib_resourc~ conda-forge/noarch::importlib_resources-5.10.2-pyhd8ed1ab_0 None
  iniconfig          conda-forge/noarch::iniconfig-2.0.0-pyhd8ed1ab_0 None
  intel-openmp       pkgs/main/win-64::intel-openmp-2019.1-144 None
  libblas            conda-forge/win-64::libblas-3.8.0-8_mkl None
  libcblas           conda-forge/win-64::libcblas-3.8.0-8_mkl None
  libffi             conda-forge/win-64::libffi-3.4.2-h8ffe710_5 None
  libint2            psi4/win-64::libint2-2.6.0-h2e52968_4 None
  liblapack          conda-forge/win-64::liblapack-3.8.0-8_mkl None
  libsqlite          conda-forge/win-64::libsqlite-3.40.0-hcfcfb64_0 None
  libxc              conda-forge/win-64::libxc-5.2.3-py38h91455d4_2 None
  libzlib            conda-forge/win-64::libzlib-1.2.13-hcfcfb64_4 None
  m2w64-gcc-libgfor~ conda-forge/win-64::m2w64-gcc-libgfortran-5.3.0-6 None
  m2w64-gcc-libs     conda-forge/win-64::m2w64-gcc-libs-5.3.0-7 None
  m2w64-gcc-libs-co~ conda-forge/win-64::m2w64-gcc-libs-core-5.3.0-7 None
  m2w64-gmp          conda-forge/win-64::m2w64-gmp-6.1.0-2 None
  m2w64-libwinpthre~ conda-forge/win-64::m2w64-libwinpthread-git-5.0.0.4634.697f757-2 None
  mctc-lib           conda-forge/win-64::mctc-lib-0.3.1-hd5c7e75_0 None
  mkl                pkgs/main/win-64::mkl-2019.1-144 None
  msgpack-python     conda-forge/win-64::msgpack-python-1.0.4-py38hb1fd069_1 None
  msys2-conda-epoch  conda-forge/win-64::msys2-conda-epoch-20160418-1 None
  networkx           conda-forge/noarch::networkx-3.0-pyhd8ed1ab_0 None
  numpy              conda-forge/win-64::numpy-1.22.4-py38h1d2777f_0 None
  openssl            conda-forge/win-64::eek:penssl-3.0.7-hcfcfb64_2 None
  optking            psi4/noarch::eek:ptking-0.2.1-pyhbc12335_1 None
  packaging          conda-forge/noarch::packaging-23.0-pyhd8ed1ab_0 None
  pint               psi4/noarch::pint-0.17-pyhd8ed1ab_0 None
  pip                conda-forge/noarch::pip-22.3.1-pyhd8ed1ab_0 None
  pluggy             conda-forge/noarch::pluggy-1.0.0-pyhd8ed1ab_5 None
  psi4               psi4/win-64::psi4-1.7+6ce35a5-py38_0 None
  psutil             conda-forge/win-64::psutil-5.9.4-py38h91455d4_0 None
  py-cpuinfo         conda-forge/noarch::py-cpuinfo-9.0.0-pyhd8ed1ab_0 None
  pycparser          conda-forge/noarch::pycparser-2.21-pyhd8ed1ab_0 None
  pydantic           conda-forge/win-64::pydantic-1.10.4-py38h91455d4_1 None
  pytest             conda-forge/noarch::pytest-7.2.1-pyhd8ed1ab_0 None
  python             conda-forge/win-64::python-3.8.15-h4de0772_1_cpython None
  python_abi         conda-forge/win-64::python_abi-3.8-3_cp38 None
  pyyaml             conda-forge/win-64::pyyaml-6.0-py38h91455d4_5 None
  qcelemental        psi4/noarch::qcelemental-0.25.1-pyhd8ed1ab_1 None
  qcengine           psi4/noarch::qcengine-0.26.0-pyhd8ed1ab_0 None
  scipy              conda-forge/win-64::scipy-1.8.1-py38h9bf8e03_0 None
  setuptools         conda-forge/noarch::setuptools-66.1.1-pyhd8ed1ab_0 None
  simple-dftd3       conda-forge/win-64::simple-dftd3-0.6.0-hd5c7e75_0 None
  tk                 conda-forge/win-64::tk-8.6.12-h8ffe710_0 None
  toml-f             conda-forge/win-64::toml-f-0.2.3-hd5c7e75_0 None
  tomli              conda-forge/noarch::tomli-2.0.1-pyhd8ed1ab_0 None
  typing-extensions  conda-forge/noarch::typing-extensions-4.4.0-hd8ed1ab_0 None
  typing_extensions  conda-forge/noarch::typing_extensions-4.4.0-pyha770c72_0 None
  ucrt               conda-forge/win-64::ucrt-10.0.22621.0-h57928b3_0 None
  vc                 conda-forge/win-64::vc-14.3-hb6edc58_10 None
  vs2015_runtime     conda-forge/win-64::vs2015_runtime-14.34.31931-h4c5c07a_10 None
  wheel              conda-forge/noarch::wheel-0.38.4-pyhd8ed1ab_0 None
  xz                 conda-forge/win-64::xz-5.2.6-h8d14728_0 None
  yaml               conda-forge/win-64::yaml-0.2.5-h8ffe710_2 None
  zipp               conda-forge/noarch::zipp-3.12.0-pyhd8ed1ab_0 NoneProceed ([y]/n)? yDownloading and Extracting Packages
mkl-2019.1           | 99.8 MB   | ################################################################################################################################################################################################# | 100%
psi4-1.7+6ce35a5     | 67.0 MB   |                                                                                                                                                                                                   |   0% WARNING conda.gateways.disk.delete:unlink_or_rename_to_trash(143): Could not remove or rename C:\Users\Beda\anaconda3\pkgs\psi4-1.7+6ce35a5-py38_0\Lib\share\psi4\basis\dgauss-dzvp-autoabs.gbs.  Please remove this file manually (you may need to reboot to free file handles)
WARNING conda.gateways.disk.delete:unlink_or_rename_to_trash(143): Could not remove or rename C:\Users\Beda\anaconda3\pkgs\psi4-1.7+6ce35a5-py38_0\Lib\share\psi4\basis\dgauss-dzvp-autoabs.gbs.  Please remove this file manually (you may need to reboot to free file handles)
psi4-1.7+6ce35a5     | 67.0 MB   |                                                                                                                                                                                                   |   0%
libint2-2.6.0        | 69.1 MB   |                                                                                                                                                                                                   |   0% WARNING conda.gateways.disk.delete:unlink_or_rename_to_trash(143): Could not remove or rename C:\Users\Beda\anaconda3\pkgs\libint2-2.6.0-h2e52968_4\lib\int2-cxx.lib.  Please remove this file manually (you may need to reboot to free file handles)
libint2-2.6.0        | 69.1 MB   |                                                                                                                                                                                                   |   0%
python-3.8.15        | 15.5 MB   | ####################################################8                                                                                                                                             |  27%
libxc-5.2.3          | 30.4 MB   | ##############################################################################7                                                                                                                   |  41% WARNING conda.gateways.disk.delete:unlink_or_rename_to_trash(143): Could not remove or rename C:\Users\Beda\anaconda3\pkgs\libxc-5.2.3-py38h91455d4_2\Library\bin\xc.dll.  Please remove this file manually (you may need to reboot to free file handles)
libxc-5.2.3          | 30.4 MB   | #################################################################################                                                                                                                 |  42%

InvalidArchiveError("Error with archive C:\\Users\\Beda\\anaconda3\\pkgs\\psi4-1.7+6ce35a5-py38_0.tar.bz2.  You probably need to delete and re-download or re-create this file.  Message from libarchive was:\n\nfailed with error: [Errno 13] Permission denied: 'C:\\\\Users\\\\Beda\\\\anaconda3\\\\pkgs\\\\psi4-1.7+6ce35a5-py38_0\\\\Lib\\\\share\\\\psi4\\\\basis\\\\dgauss-dzvp-autoabs.gbs'")
CondaSSLError: Encountered an SSL error. Most likely a certificate verification issue.

Exception: [SSL: DECRYPTION_FAILED_OR_BAD_RECORD_MAC] decryption failed or bad record mac (_ssl.c:2633)

CondaSSLError: Encountered an SSL error. Most likely a certificate verification issue.

Exception: [SSL: DECRYPTION_FAILED_OR_BAD_RECORD_MAC] decryption failed or bad record mac (_ssl.c:2633)

CondaSSLError: Encountered an SSL error. Most likely a certificate verification issue.

Exception: [SSL: DECRYPTION_FAILED_OR_BAD_RECORD_MAC] decryption failed or bad record mac (_ssl.c:2633)
I deleted that files above, but then it occured again. So what should I do?
 
Last edited by a moderator:
  • #13
jedishrfu said:
Did you turn off the ssl flag and try it again?
I suppose I did, these were my first three steps:

(base) C:\Users\Beda>conda activate p4env

(p4env) C:\Users\Beda>conda config --set ssl_verify false

(p4env) C:\Users\Beda> conda install psi4 python=3.8 -c psi4 -c conda-forge

Or am I to do it differently?
 
  • #14
You could use conda to check if its set by listing the environment because it seems the error still occurred during install
 
  • #15
jedishrfu said:
You could use conda to check if its set by listing the environment because it seems the error still occurred during install
And how to do it? When I do "conda env list" I see only my enviroment with a star.
 
  • #16
Check your .condarc file. The url link I gave mentions that for setting this flag.

They also mention locating your ssl certificate and the setting the ssl_verify path.
 
  • #17
jedishrfu said:
Check your .condarc file. The url link I gave mentions that for setting this flag.
In the .condarc file is it ok, I have there ssl_verify false.

jedishrfu said:
They also mention locating your ssl certificate and the setting the ssl_verify path.
I don't know how to do this, where am I to find that ssl certificate?
 
  • #19
I don't think this is anything to do with SSL certificates (not any more, anyway). It is due to the installation process being unable to delete files, probably because they are locked by a crashed process.

Lotto said:
Code: 
WARNING conda.gateways.disk.delete:unlink_or_rename_to_trash(143): Could not remove or rename C:\Users\Beda\anaconda3\pkgs\libint2-2.6.0-h2e52968_4.tar.bz2.  Please remove this file manually (you may need to reboot to free file handles)
WARNING conda.gateways.disk.delete:unlink_or_rename_to_trash(143): Could not remove or rename C:\Users\Beda\anaconda3\pkgs\libxc-5.2.3-py38h91455d4_2.tar.bz2.  Please remove this file manually (you may need to reboot to free file handles)
WARNING conda.gateways.disk.delete:unlink_or_rename_to_trash(143): Could not remove or rename C:\Users\Beda\anaconda3\pkgs\psi4-1.7+6ce35a5-py38_0.tar.bz2.  Please remove this file manually (you may need to reboot to free file handles)
WARNING conda.gateways.disk.delete:unlink_or_rename_to_trash(143): Could not remove or rename C:\Users\Beda\anaconda3\pkgs\psi4-1.7+6ce35a5-py38_0\Lib\share\psi4\basis\dgauss-dzvp-autoabs.gbs.  Please remove this file manually (you may need to reboot to free file handles)
WARNING conda.gateways.disk.delete:unlink_or_rename_to_trash(143): Could not remove or rename C:\Users\Beda\anaconda3\pkgs\psi4-1.7+6ce35a5-py38_0\Lib\share\psi4\basis\dgauss-dzvp-autoabs.gbs.  Please remove this file manually (you may need to reboot to free file handles)
WARNING conda.gateways.disk.delete:unlink_or_rename_to_trash(143): Could not remove or rename C:\Users\Beda\anaconda3\pkgs\libint2-2.6.0-h2e52968_4\lib\int2-cxx.lib.  Please remove this file manually (you may need to reboot to free file handles)
WARNING conda.gateways.disk.delete:unlink_or_rename_to_trash(143): Could not remove or rename C:\Users\Beda\anaconda3\pkgs\libxc-5.2.3-py38h91455d4_2\Library\bin\xc.dll.  Please remove this file manually (you may need to reboot to free file handles)
InvalidArchiveError("Error with archive C:\\Users\\Beda\\anaconda3\\pkgs\\psi4-1.7+6ce35a5-py38_0.tar.bz2.  You probably need to delete and re-download or re-create this file.  Message from libarchive was:\n\nfailed with error: [Errno 13] Permission denied: 'C:\\\\Users\\\\Beda\\\\anaconda3\\\\pkgs\\\\psi4-1.7+6ce35a5-py38_0\\\\Lib\\\\share\\\\psi4\\\\basis\\\\dgauss-dzvp-autoabs.gbs'")

In my experience installing Python packages in Windows is a nightmare and I gave up years ago: I do serious Python work in a Linux virtual machine. It may be it works better in WSL but I haven't tried that approach.

Lotto said:
I deleted that files above, but then it occured again.
Then show us the error report after "deleting that files above".
 
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Likes jedishrfu
  • #20
pbuk said:
I don't think this is anything to do with SSL certificates (not any more, anyway). It is due to the installation process being unable to delete files, probably because they are locked by a crashed process.

Well, unfortunately, that "WARNING" occured only twice, now only this below occures. I installed OpenSSL, checked, that when I open .condarc, I have there "ssl_verify: false". But nothing works. I don't understand it, for the first time, it shows report above, and now it shows this report.

And installation via .exe doesn't work either.
Code: 
(p4env) C:\Users\Beda> conda install psi4 python=3.8 -c psi4 -c conda-forge
Collecting package metadata (current_repodata.json): done
Solving environment: failed with initial frozen solve. Retrying with flexible solve.
Solving environment: failed with repodata from current_repodata.json, will retry with next repodata source.
Collecting package metadata (repodata.json): done
Solving environment: done

## Package Plan ##

  environment location: C:\Users\Beda\anaconda3\envs\p4env

  added / updated specs:
    - psi4
    - python=3.8The following packages will be downloaded:

    package                    |            build
    ---------------------------|-----------------
    libcblas-3.8.0             |            8_mkl         3.5 MB  conda-forge
    libint2-2.6.0              |       h2e52968_4        69.1 MB  psi4
    libxc-5.2.3                |   py38h91455d4_2        30.4 MB  conda-forge
    mkl-2019.1                 |              144        99.8 MB
    numpy-1.22.4               |   py38h1d2777f_0         6.1 MB  conda-forge
    psi4-1.7+6ce35a5           |           py38_0        67.0 MB  psi4
    python-3.8.15              |h4de0772_1_cpython        15.5 MB  conda-forge
    scipy-1.8.1                |   py38h9bf8e03_0        27.3 MB  conda-forge
    ------------------------------------------------------------
                                           Total:       318.9 MB

The following NEW packages will be INSTALLED:

  attrs              conda-forge/noarch::attrs-22.2.0-pyh71513ae_0
  bzip2              conda-forge/win-64::bzip2-1.0.8-h8ffe710_4
  ca-certificates    conda-forge/win-64::ca-certificates-2022.12.7-h5b45459_0
  cffi               conda-forge/win-64::cffi-1.15.1-py38h57701bc_3
  colorama           conda-forge/noarch::colorama-0.4.6-pyhd8ed1ab_0
  dftd3-python       conda-forge/win-64::dftd3-python-0.6.0-py38heb50f4f_1
  exceptiongroup     conda-forge/noarch::exceptiongroup-1.1.0-pyhd8ed1ab_0
  gau2grid           conda-forge/win-64::gau2grid-2.0.7-hcb41399_1
  gcp-correction     conda-forge/win-64::gcp-correction-2.3.1-ha368592_2
  importlib-metadata conda-forge/noarch::importlib-metadata-6.0.0-pyha770c72_0
  importlib_metadata conda-forge/noarch::importlib_metadata-6.0.0-hd8ed1ab_0
  importlib_resourc~ conda-forge/noarch::importlib_resources-5.10.2-pyhd8ed1ab_0
  iniconfig          conda-forge/noarch::iniconfig-2.0.0-pyhd8ed1ab_0
  intel-openmp       pkgs/main/win-64::intel-openmp-2019.1-144
  libblas            conda-forge/win-64::libblas-3.8.0-8_mkl
  libcblas           conda-forge/win-64::libcblas-3.8.0-8_mkl
  libffi             conda-forge/win-64::libffi-3.4.2-h8ffe710_5
  libint2            psi4/win-64::libint2-2.6.0-h2e52968_4
  liblapack          conda-forge/win-64::liblapack-3.8.0-8_mkl
  libsqlite          conda-forge/win-64::libsqlite-3.40.0-hcfcfb64_0
  libxc              conda-forge/win-64::libxc-5.2.3-py38h91455d4_2
  libzlib            conda-forge/win-64::libzlib-1.2.13-hcfcfb64_4
  m2w64-gcc-libgfor~ conda-forge/win-64::m2w64-gcc-libgfortran-5.3.0-6
  m2w64-gcc-libs     conda-forge/win-64::m2w64-gcc-libs-5.3.0-7
  m2w64-gcc-libs-co~ conda-forge/win-64::m2w64-gcc-libs-core-5.3.0-7
  m2w64-gmp          conda-forge/win-64::m2w64-gmp-6.1.0-2
  m2w64-libwinpthre~ conda-forge/win-64::m2w64-libwinpthread-git-5.0.0.4634.697f757-2
  mctc-lib           conda-forge/win-64::mctc-lib-0.3.1-hd5c7e75_0
  mkl                pkgs/main/win-64::mkl-2019.1-144
  msgpack-python     conda-forge/win-64::msgpack-python-1.0.4-py38hb1fd069_1
  msys2-conda-epoch  conda-forge/win-64::msys2-conda-epoch-20160418-1
  networkx           conda-forge/noarch::networkx-3.0-pyhd8ed1ab_0
  numpy              conda-forge/win-64::numpy-1.22.4-py38h1d2777f_0
  openssl            conda-forge/win-64::eek:penssl-3.0.7-hcfcfb64_2
  optking            psi4/noarch::eek:ptking-0.2.1-pyhbc12335_1
  packaging          conda-forge/noarch::packaging-23.0-pyhd8ed1ab_0
  pint               psi4/noarch::pint-0.17-pyhd8ed1ab_0
  pip                conda-forge/noarch::pip-22.3.1-pyhd8ed1ab_0
  pluggy             conda-forge/noarch::pluggy-1.0.0-pyhd8ed1ab_5
  psi4               psi4/win-64::psi4-1.7+6ce35a5-py38_0
  psutil             conda-forge/win-64::psutil-5.9.4-py38h91455d4_0
  py-cpuinfo         conda-forge/noarch::py-cpuinfo-9.0.0-pyhd8ed1ab_0
  pycparser          conda-forge/noarch::pycparser-2.21-pyhd8ed1ab_0
  pydantic           conda-forge/win-64::pydantic-1.10.4-py38h91455d4_1
  pytest             conda-forge/noarch::pytest-7.2.1-pyhd8ed1ab_0
  python             conda-forge/win-64::python-3.8.15-h4de0772_1_cpython
  python_abi         conda-forge/win-64::python_abi-3.8-3_cp38
  pyyaml             conda-forge/win-64::pyyaml-6.0-py38h91455d4_5
  qcelemental        psi4/noarch::qcelemental-0.25.1-pyhd8ed1ab_1
  qcengine           psi4/noarch::qcengine-0.26.0-pyhd8ed1ab_0
  scipy              conda-forge/win-64::scipy-1.8.1-py38h9bf8e03_0
  setuptools         conda-forge/noarch::setuptools-66.1.1-pyhd8ed1ab_0
  simple-dftd3       conda-forge/win-64::simple-dftd3-0.6.0-hd5c7e75_0
  tk                 conda-forge/win-64::tk-8.6.12-h8ffe710_0
  toml-f             conda-forge/win-64::toml-f-0.2.3-hd5c7e75_0
  tomli              conda-forge/noarch::tomli-2.0.1-pyhd8ed1ab_0
  typing-extensions  conda-forge/noarch::typing-extensions-4.4.0-hd8ed1ab_0
  typing_extensions  conda-forge/noarch::typing_extensions-4.4.0-pyha770c72_0
  ucrt               conda-forge/win-64::ucrt-10.0.22621.0-h57928b3_0
  vc                 conda-forge/win-64::vc-14.3-hb6edc58_10
  vs2015_runtime     conda-forge/win-64::vs2015_runtime-14.34.31931-h4c5c07a_10
  wheel              conda-forge/noarch::wheel-0.38.4-pyhd8ed1ab_0
  xz                 conda-forge/win-64::xz-5.2.6-h8d14728_0
  yaml               conda-forge/win-64::yaml-0.2.5-h8ffe710_2
  zipp               conda-forge/noarch::zipp-3.12.0-pyhd8ed1ab_0Proceed ([y]/n)? yDownloading and Extracting PackagesCancelledError()
CancelledError()
CondaSSLError: Encountered an SSL error. Most likely a certificate verification issue.

Exception: [SSL: DECRYPTION_FAILED_OR_BAD_RECORD_MAC] decryption failed or bad record mac (_ssl.c:2633)

CondaSSLError: Encountered an SSL error. Most likely a certificate verification issue.

Exception: [SSL: DECRYPTION_FAILED_OR_BAD_RECORD_MAC] decryption failed or bad record mac (_ssl.c:2633)

CondaSSLError: Encountered an SSL error. Most likely a certificate verification issue.

Exception: [SSL: DECRYPTION_FAILED_OR_BAD_RECORD_MAC] decryption failed or bad record mac (_ssl.c:2633)

CondaSSLError: Encountered an SSL error. Most likely a certificate verification issue.

Exception: [SSL: DECRYPTION_FAILED_OR_BAD_RECORD_MAC] decryption failed or bad record mac (_ssl.c:2633)

CondaSSLError: Encountered an SSL error. Most likely a certificate verification issue.

Exception: [SSL: DECRYPTION_FAILED_OR_BAD_RECORD_MAC] decryption failed or bad record mac (_ssl.c:2633)
 
Last edited by a moderator:
  • #21
@Lotto You really need to use code tags while posting output from the terminal. To do this, click on the icon below:

1675120570266.png

paste your code, select a programming language (in this case, none), and click on Continue. Alternatively, append [CODE]...[/CODE] tags before and at the end of the code block section.
 
  • #22
Wrichik Basu said:
@Lotto You really need to use code tags while posting output from the terminal.
Yes. @Lotto -- the Mentors have been inserting code tags for you in your longer posts in this thread, but please do it for yourself from now on using the tip from @Wrichik Basu

Thank you.
 
  • Haha
  • Like
Likes Wrichik Basu and jedishrfu
  • #23
This is really weird. Every day occures different reports
Code: 
(p4env) C:\Users\Beda> conda install psi4 python=3.8 -c psi4
Collecting package metadata (current_repodata.json): done
Solving environment: failed with initial frozen solve. Retrying with flexible solve.
Solving environment: failed with repodata from current_repodata.json, will retry with next repodata source.
Collecting package metadata (repodata.json): done
Solving environment: failed with initial frozen solve. Retrying with flexible solve.
Solving environment: -
Found conflicts! Looking for incompatible packages.
This can take several minutes.  Press CTRL-C to abort.
failed

UnsatisfiableError: The following specifications were found to be incompatible with each other:

Output in format: Requested package -> Available versions

Package python conflicts for:
python=3.8
psi4 -> msgpack-python -> python[version='>=2.7,<2.8.0a0|>=3.10,<3.11.0a0|>=3.7,<3.8.0a0|>=3.8,<3.9.0a0|>=3.9,<3.10.0a0|>=3.6,<3.7.0a0|>=3.5,<3.6.0a0|>=3.8|>=3.7|>=3.6|>=3.5|>=3.6.0']
psi4 -> python=3.8
 
  • #24
It looks like the python module msgpack-python you want to load can't work with python 3.8
 
  • #25
Ok, I tried that on my father's notebook and there it works, so I give up installing Psi4 on my PC, it seems to be a hard problem. But I can use the program there at least.
 
  • #26
When you get a version mismatch you can either upgrade or downgrade things. In this case, it looks like you may need to downgrade your python to get it to work or install python 3.7 along with python 3.8 if possible.

I recall conda may allow multiple python environments.
 

1. Why is Psi4 installation taking so long?

There could be several reasons for this, such as a slow internet connection, a large file size, or compatibility issues with your computer's operating system. It is also possible that there are other programs running in the background, slowing down the installation process. If the installation is taking an unusually long time, it is recommended to check your internet speed and close any unnecessary programs before trying again.

2. How can I fix "missing dependencies" errors during the Psi4 installation?

This error usually occurs when some of the required dependencies are not installed on your system. To fix this, you can try installing the missing dependencies manually or using a package manager such as Anaconda or Homebrew. It is also important to make sure that you are downloading the correct version of Psi4 for your operating system.

3. I am getting an "Access Denied" error during the Psi4 installation. What should I do?

This error is often caused by insufficient permissions to access certain files or directories on your computer. To fix this, try running the installation as an administrator or with elevated privileges. You can also check your antivirus or firewall settings to make sure they are not blocking the installation process.

4. I am unable to launch Psi4 after installation. What could be the problem?

There could be several reasons for this, such as a corrupt installation, missing dependencies, or compatibility issues with your computer's hardware. It is recommended to check if all the necessary dependencies are installed and make sure that you have met the minimum system requirements for running Psi4. If the issue persists, try reinstalling the software.

5. How can I uninstall Psi4 from my computer?

To uninstall Psi4, you can use the same method as you would for any other software on your computer. For Windows users, you can go to the Control Panel and select "Uninstall a program" to find Psi4 and remove it. For Mac users, you can simply drag the Psi4 application to the Trash bin and empty it. It is also recommended to delete any residual files or folders related to Psi4 after uninstalling to free up space on your computer.

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