From 6e79dd3337c0895ceac704f42b1231a180d3204d Mon Sep 17 00:00:00 2001 From: "Paul R. C. Kent" Date: Fri, 22 Apr 2022 19:13:48 -0400 Subject: [PATCH] Polish text --- docs/installation.rst | 16 ++++++++++------ 1 file changed, 10 insertions(+), 6 deletions(-) diff --git a/docs/installation.rst b/docs/installation.rst index 78e7616dd..ef3507dff 100644 --- a/docs/installation.rst +++ b/docs/installation.rst @@ -1777,8 +1777,8 @@ for the creation of projectors in UPF can introduce severe errors and inaccuraci .. _buildqe: -Installing Quantum ESPRESSO with pw2qmcpack -------------------------------------------- +Installing Quantum ESPRESSO and pw2qmcpack +------------------------------------------ For trial wavefunctions obtained in a plane-wave basis, we mainly support QE. Note that ABINIT and QBox were supported historically @@ -1840,8 +1840,12 @@ A HDF5 library installation with Fortran support is required. Quantum ESPRESSO (>7.0) ~~~~~~~~~~~~~~~~~~~~~~~ -There is no more need of patching QE. Users may use upstream QE. Full QE CMake documentation can be found at +Due to incorporation of pw2qmcpack as a plugin, there is no longer any need to patch QE. +Users may use upstream QE and activate the plugin by specifying ``-DQE_ENABLE_PLUGINS=pw2qmcpack`` at the CMake configure step. +Full QE CMake documentation can be found at https://gitlab.com/QEF/q-e/-/wikis/Developers/CMake-build-system . +A HDF5 library installation with Fortran support is required. + :: mkdir build_mpi @@ -1849,9 +1853,9 @@ https://gitlab.com/QEF/q-e/-/wikis/Developers/CMake-build-system . cmake -DCMAKE_C_COMPILER=mpicc -DCMAKE_Fortran_COMPILER=mpif90 -DQE_ENABLE_PLUGINS=pw2qmcpack .. make -j 16 -Post QE installation -~~~~~~~~~~~~~~~~~~~~ -Testing QE to QMCPACK workflow after building QE and QMCPACK is highly recommended. +Testing QE after installation +~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +Testing the QE to QMCPACK workflow after building QE and QMCPACK is highly recommended. See :ref:`integtestqe` and the testing section for more details. .. _buildperformance: