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Package Details: python-pyscf 2.6.2-2
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Git Clone URL: | https://aur.archlinux.org/python-pyscf.git (read-only, click to copy) |
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Package Base: | python-pyscf |
Description: | Python module for quantum chemistry |
Upstream URL: | https://github.com/pyscf/pyscf |
Licenses: | Apache-2.0 |
Conflicts: | python-pyscf-git |
Provides: | python-pyscf |
Submitter: | dan.maftei |
Maintainer: | chillenb |
Last Packager: | chillenb |
Votes: | 3 |
Popularity: | 0.151040 |
First Submitted: | 2018-02-03 15:52 (UTC) |
Last Updated: | 2024-07-11 06:09 (UTC) |
Dependencies (11)
- 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)
- libcintAUR (libcint-gitAUR, libcintAUR)
- libxcAUR
- python (python37AUR, python311AUR, python310AUR)
- python-h5py (python-h5py-gitAUR, python-h5py-openmpi)
- python-numpy (python-numpy-flameAUR, python-numpy-mkl-binAUR, python-numpy-gitAUR, python-numpy1AUR, python-numpy-mklAUR)
- python-scipy (python-scipy-mkl-binAUR, python-scipy-gitAUR, python-scipy-mklAUR)
- xcfunAUR (xcfunAUR, xcfun-gitAUR)
- cmake (cmake-gitAUR) (make)
- python-build (make)
- python-installer (python-installer-gitAUR) (make)
Required by (3)
- python-cclib (optional)
- python-cclib-git (check)
- python-cclib-git (optional)
Latest Comments
Tenshi65535 commented on 2023-01-10 08:30 (UTC)
Greetings to all.
As libcint, libxc and xcfun are all listed as dipendencies, it might not be necessary to build it again in this package. Would you consider to set BUILD_LIBXC, BUILD_XCFUN and BUILD_LIBCINT to 'off'?
Also, will BUILD_MARCH_NATIVE improve the performance?
Guide for reference: https://pyscf.org/install.html#cmake-options-and-compiling-flags
a.kudelin commented on 2021-05-02 20:09 (UTC)
Please update to the new version: https://pastebin.com/t7CSyQjv
katherlee commented on 2018-07-10 21:52 (UTC)
Here is an PKGBUILD for version 1.5.1: https://gist.github.com/katherlee/2a958be07b9606af77bd97badf5c6884
katherlee commented on 2018-04-05 21:35 (UTC)
Thanks for packaging! Just an FYI, The latest release is now 1.4.5.