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Package Details: psi4-git 1.7.r22.g61c0b47982-1

Package Actions

Git Clone URL:	https://aur.archlinux.org/psi4-git.git (read-only, click to copy)
Package Base:	psi4-git
Description:	Open-source quantum chemistry
Upstream URL:	http://psicode.org
Licenses:	GPL
Conflicts:	psi4
Provides:	psi4
Submitter:	hcar
Maintainer:	Tenshi65535
Last Packager:	Tenshi65535
Votes:	4
Popularity:	0.000000
First Submitted:	2016-10-02 18:16 (UTC)
Last Updated:	2023-02-09 05:54 (UTC)

Dependencies (21)

blas (blis-cblas-openmp^AUR, blis-cblas^AUR, aocl-blis-aocc^AUR, blas-git^AUR, atlas-lapack^AUR, blas-aocl-gcc^AUR, blas-aocl-aocc^AUR, blis-git^AUR, blis^AUR, openblas-lapack^AUR, blas-mkl^AUR, aocl-blis^AUR, blas-openblas)
eigen (eigen-git^AUR)
gau2grid^AUR (gau2grid^AUR)
lapack (aocl-libflame-aocc^AUR, lapack-git^AUR, atlas-lapack^AUR, blas-aocl-gcc^AUR, blas-aocl-aocc^AUR, openblas-lapack^AUR, blas-mkl^AUR, aocl-libflame^AUR, blas-openblas)
libxc^AUR
pybind11 (pybind11-git^AUR)
python (python37^AUR, python311^AUR, python310^AUR)
python-msgpack
python-networkx (python-networkx-git^AUR)
python-numpy (python-numpy-flame^AUR, python-numpy-git^AUR, python-numpy1^AUR, python-numpy-mkl-bin^AUR, python-numpy-mkl-tbb^AUR, python-numpy-mkl^AUR)
python-optking^AUR
python-qcelemental^AUR
python-qcengine^AUR
cmake (cmake-git^AUR) (make)
gcc (gcc-git^AUR, gccrs-git^AUR, gcc11^AUR, gcc-snapshot^AUR) (make)
make (make-git^AUR) (make)
perl (perl-git^AUR) (optional)
python-nbsphinx (optional)
python-pytest (optional)
python-pytest-xdist (optional)
Show 1 more dependencies...

Required by (4)

python-cclib (requires psi4) (optional)
python-cclib-git (requires psi4) (check)
python-cclib-git (requires psi4) (optional)
python-qcengine (requires psi4) (optional)

Sources (1)

git+https://github.com/psi4/psi4

Latest Comments

Gemini commented on 2020-04-03 22:11 (UTC) (edited on 2020-04-03 22:12 (UTC) by Gemini)

A requirement seems to be missing: qcelemental. I would have tested installing manually but its installation also failed. Below is the error:


Traceback (most recent call last):
  File /usr/bin/psi4, line 39, in <module>
    import qcelemental as qcel
ModuleNotFoundError: No module named 'qcelemental'

btw, this is running psi4, the installation completed.

arcanis commented on 2017-06-05 18:18 (UTC)

I have changed slightly pkgbuild (removed empty fields, more correct work with git repository, more correct version definition). Could you please consider to update it? https://gist.github.com/arcan1s/2b6e2bdd7eb1e090885d61bffe61d528