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Merge branch '171-qe-deprecate-modules-build-with-openmpi-3' into 'master'

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Resolve "qe: deprecate modules build with openmpi 3"

Closes #171

See merge request Pmodules/buildblocks!242
This commit is contained in:
gsell
2021-11-17 17:15:23 +00:00
parent edc9727a77 b3c3a318af
commit 102f57cf11
2 changed files with 7 additions and 4 deletions
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2
MPI/qe/6/variants → MPI/qe/files/variants
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@@ -1,2 +1,2 @@
qe/6.3 unstable gcc/8.2.0 openmpi/3.1.1 b:cmake/3.9.6
qe/6.3 deprecated gcc/8.2.0 openmpi/3.1.1 b:cmake/3.9.6
qe/6.5 unstable gcc/9.3.0 lapack/3.9.0 OpenBLAS/0.3.9 openmpi/4.0.4_slurm b:cmake/3.15.5

9
MPI/qe/modulefile
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@@ -1,9 +1,12 @@
#%Module1.0
module-whatis "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."
module-url "https://www.quantum-espresso.org"
module-whatis "suite of codes for electronic-structure calculations and materials modeling"
module-url "https://www.quantum-espresso.org"
module-license "See PREFIX/share/doc/COPYING"
module-maintainer "Marc Caubet <marc.caubet@psi.ch>"
module-help "
QUANTUM ESPRESSOR 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.
QUANTUM ESPRESSOR 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.
"