diff options
| author | Nichols A. Romero <naromero77@users.noreply.github.com> | 2020-05-03 15:53:01 -0500 |
|---|---|---|
| committer | GitHub <noreply@github.com> | 2020-05-03 14:53:01 -0600 |
| commit | 860c54335dab3c766b2f692e77941b7dce28ab8e (patch) | |
| tree | a08dd70c70894502077e720930604e2e1874ad53 /.dockerignore | |
| parent | caad59e7c7a45cb550d1451ed04108c0e37c1cbd (diff) | |
| download | spack-860c54335dab3c766b2f692e77941b7dce28ab8e.tar.gz spack-860c54335dab3c766b2f692e77941b7dce28ab8e.tar.bz2 spack-860c54335dab3c766b2f692e77941b7dce28ab8e.tar.xz spack-860c54335dab3c766b2f692e77941b7dce28ab8e.zip | |
QE-to-QMCPACK wave function converter relocation + some bug fixes (#16422)
* Revise description of patch variant.
* Add qmcpack variant. Apply QE-to-QMCPACK wave function converter patch.
* Clean-up, document, and re-organize.
* ELPA patches did not nead when=`+patch` variant.
* Need to be more precise here with QE version numbers.
* satisfies seems to be necessary here in order to get correct behaviour.
* Buglet with zlib link line.
* Update var/spack/repos/builtin/packages/quantum-espresso/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Update var/spack/repos/builtin/packages/quantum-espresso/package.py
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
* Fix for QE-to-QMCPACK wave function converter w.r.t. QE 6.3. Also adjust comments to reflect changes in code.
Co-authored-by: Adam J. Stewart <ajstewart426@gmail.com>
Diffstat (limited to '.dockerignore')
0 files changed, 0 insertions, 0 deletions