A suite for electronic-structure calculations and materials modeling
Quantum ESPRESSO is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials.
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Source Files
| Filename | Size | Changed |
|---|---|---|
| _link | 0000000124 124 Bytes | |
| _multibuild | 0000000175 175 Bytes | |
| devicexlib-0.1.0.tar.gz | 0005321512 5.07 MB | |
| q-e-qe-6.8.tar.bz2 | 0067865847 64.7 MB | |
| quantum-espresso-devxlib-no-download.patch | 0000000828 828 Bytes | |
| quantum-espresso.changes | 0000006467 6.32 KB | |
| quantum-espresso.spec | 0000006217 6.07 KB |
Revision 17 (latest revision is 21)
Christian Goll (mslacken)
accepted
request 932838
from
Atri Bhattacharya (badshah400)
(revision 17)
* Update to version 6.8. * Drop backports-6.4.1.git-diff: incorporated upstream. * Add quantum-espresso-devxlib-no-download.patch: Patch to avoid downloading devxlib from the web; we supply it as an additional source instead. * Add devxlib as an additional source and copy it to dir where quantum-espresso build expects. * Add openmpi4 as multibuild flavor. * Drop mvapich2 multibuild flavor, not well supported and builds fail. * Hack-ish work-arounds to prevent build failures all around. * Link against scalapack for parallel build flavors.
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