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--- build:bigdft [2015/02/26 17:41] – created Yann Pouillon
+++ build:install_bigdft [2016/09/22 15:05] (current) – [Linking everything into ABINIT] Yann Pouillon
@@ Line 1: / Line 1: @@
+====== Building BigDFT ======
+To link ABINIT with BigDFT, BigDFT must be compiled as a library.
+===== Building dependencies =====
+Before compiling, one should compile or provide its dependencies :
+  * libXC ;
+  * libYAML ;
+  * linear algebra (Lapack and Blas or equivalents) ;
+  * a subset of ABINIT called later on libABINIT.
+libXC, libYAML and the linear algebra are official packages provided by upstream. Refer to the different project pages for compilation indications.
+To compile libABINIT, download it from [[http://forge.abinit.org/fallbacks/libABINIT-6.8+12.tar.gz|abinit.org]]. It works with the Autotools. So configure it with :
+<code>./configure FC=mpif90 --with-libxc-incs="-I/path/to/libXC/install/includes" --with-libxc-libs="-L/path/to/libXC/install/lib -lxcf90 -lxc"</code>
+Mind that it depends on libXC itself that should be compiled before.
+===== Building BigDFT as a library =====
+BigDFT is using the Autotools. One can download it from [[http://forge.abinit.org/fallbacks/bigdft-1.7.6.3.tar.gz|abinit.org]]. To configure it, one needs to provide access to all dependencies. Besides, one should disable the building of binaries and of Python bindings :
+<code>./configure FC=mpif90 --with-libxc-incs="-I/path/to/libXC/install/includes" --with-libxc-libs="-L/path/to/libXC/install/lib -lxcf90 -lxc" --with-libabinit-incs="-I/path/to/libABINIT/install/includes" --with-libabinit-libs="-L/path/to/libABINIT/install/lib -labinit" --disable-binaries --disable-bindings --without-gobject --enable-libbigdft</code>
+===== Linking everything into ABINIT =====
+Add bigdft to the dft flavor in ABINIT configuration :
+ ''-%%-%%with-dft-flavor=bigdft+…''