mirror of https://gitlab.com/QEF/q-e.git
c290deba93
use MKLROOT instead of trying to guess all possible paths. In case MKLROOT is not set, use MKLROOT=/opt/intel/mkl. Support for very old MKL removed. User guide updated. |
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| .. | ||
| m4 | ||
| EnvVarUpdate.nsh | ||
| Makefile.lib_eigsolve | ||
| Makefile_iotk | ||
| README.FX10 | ||
| README.IDRIS_ADA | ||
| README.IDRIS_TURING | ||
| README.MinGW | ||
| aclocal.m4 | ||
| addsonpatch.sh | ||
| addsontool.sh | ||
| build-mingw-cross.sh | ||
| clean.sh | ||
| config.guess | ||
| config.sub | ||
| configure | ||
| configure.ac | ||
| configure.msg.in | ||
| espresso.nsis | ||
| extlibs_makefile | ||
| includedep.sh | ||
| install-sh | ||
| install_utils | ||
| iotk_config.h | ||
| make.inc.in | ||
| make_lapack.inc.in | ||
| make_wannier90.inc.in | ||
| makedeps.sh | ||
| moduledep.sh | ||
| namedep.sh | ||
| plugins_list | ||
| plugins_makefile | ||
| refresh-configure.sh | ||
| sync-mingw-to-repo.sh | ||
README.MinGW
Notes for cross-compiling Quantum ESPRESSO in serial/parallel from Fedora Linux to 32-bit and 64-bit Windows using the provided MinGW64/gcc toolchain. Set up a suitable (virtual) machine and install the following packages: make git vim-enhanced dos2unix htmldoc latex2html mingw32-nsis mingw32-gcc-gfortran mingw64-gcc-gfortran tcl tcllib netpbm-progs Create user 'winbuild' and set password. Log in and create ssh key pair and append the public key the .ssh/authorized_keys file of the repository account for automatic file transfer Edit $HOME/.bash_profile to set environment variables for depositing files QE4WIN_REPO_HOST QE4WIN_REPO_USER QE4WIN_REPO_DIR Clone adjusted espresso tree via (XXX: change to svn after completion): git clone git@bitbucket.org:akohlmey/espresso-qmmm.git espresso-qmmm cd espresso-qmmm git checkout mingw-build From now on, to build and sync the windows installers to the repository with: cd ~/espresso-qmmm/ git pull ./install/build-mingw-cross.sh ./install/sync-mingw-to-repo.sh To generate a suitable OpenBLAS dll download the latest OpenBLAS release source package, unpack it, and change into the unpacked directory make clean make BINARY=32 TARGET=CORE2 USE_THREAD=0 CC=i686-w64-mingw32-gcc \ FC=i686-w64-mingw32-gfortran HOSTCC=gcc mkdir -p ~/espresso-qmmm/install/blas-win32/ cp libopenblas.dll ~/espresso-qmmm/install/blas-win32/ make clean make BINARY=64 TARGET=CORE2 USE_THREAD=0 CC=x86_64-w64-mingw32-gcc \ FC=x86_64-w64-mingw32-gfortran HOSTCC=gcc mkdir -p ~/espresso-qmmm/install/blas-win64/ cp libopenblas.dll ~/espresso-qmmm/install/blas-win64/