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Package Details: psi4 1.7-1
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Git Clone URL: | https://aur.archlinux.org/psi4.git (read-only, click to copy) |
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Package Base: | psi4 |
Description: | Open-source quantum chemistry - an electronic structure package in C++ driven by Python |
Upstream URL: | http://psicode.org |
Licenses: | GPL |
Conflicts: | psi4-git |
Provides: | psi4 |
Submitter: | Tenshi65535 |
Maintainer: | Tenshi65535 |
Last Packager: | Tenshi65535 |
Votes: | 1 |
Popularity: | 0.000001 |
First Submitted: | 2022-12-13 09:36 (UTC) |
Last Updated: | 2022-12-17 09:13 (UTC) |
Dependencies (21)
- blas (blis-cblas-openmpAUR, blis-cblasAUR, aocl-blis-aoccAUR, blas-gitAUR, atlas-lapackAUR, blas-aocl-gccAUR, blas-aocl-aoccAUR, blis-gitAUR, blisAUR, openblas-lapackAUR, blas-mklAUR, aocl-blisAUR, blas-openblas)
- eigen (eigen-gitAUR)
- gau2gridAUR (gau2gridAUR)
- lapack (aocl-libflame-aoccAUR, lapack-gitAUR, atlas-lapackAUR, blas-aocl-gccAUR, blas-aocl-aoccAUR, openblas-lapackAUR, blas-mklAUR, aocl-libflameAUR, blas-openblas)
- libxcAUR
- pybind11 (pybind11-gitAUR)
- python (python37AUR, python311AUR, python310AUR)
- python-msgpack
- python-networkx (python-networkx-gitAUR)
- python-numpy (python-numpy-flameAUR, python-numpy-mkl-binAUR, python-numpy-gitAUR, python-numpy1AUR, python-numpy-mklAUR, python-numpy-mkl-tbbAUR)
- python-optkingAUR
- python-qcelementalAUR
- python-qcengineAUR
- cmake (cmake-gitAUR) (make)
- gcc (gcc-gitAUR, gccrs-gitAUR, gcc11AUR, gcc-snapshotAUR) (make)
- make (make-gitAUR) (make)
- perl (perl-gitAUR) (optional)
- python-nbsphinx (optional)
- python-pytest (optional)
- python-pytest-xdist (optional)
- Show 1 more dependencies...
Required by (4)
- python-cclib (optional)
- python-cclib-git (check)
- python-cclib-git (optional)
- python-qcengine (optional)
Latest Comments
banana-bred commented on 2023-08-24 17:00 (UTC) (edited on 2023-08-24 17:20 (UTC) by banana-bred)
Building this consumes all of my system memory (16GB RAM + 16GB SWAP). Is this normal ? Also, it seems like test 243 was fixed and doesn't need to be skipped. Can't confirm because can't build.
https://github.com/psi4/psi4/commit/f0a2cc9f78043a346126b5158a1b7507d5bebf57
Also, v1.8 is available
https://github.com/psi4/psi4/releases/tag/v1.8