diff --git a/MPI/qe/6/variants b/MPI/qe/files/variants similarity index 60% rename from MPI/qe/6/variants rename to MPI/qe/files/variants index 15f24e1..6e0614a 100644 --- a/MPI/qe/6/variants +++ b/MPI/qe/files/variants @@ -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 diff --git a/MPI/qe/modulefile b/MPI/qe/modulefile index a25ccda..0e02a57 100644 --- a/MPI/qe/modulefile +++ b/MPI/qe/modulefile @@ -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 " 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. "