mirror of
https://github.com/triqs/dft_tools
synced 2024-11-01 19:53:45 +01:00
4af1afbdaf
- For users : only change is :
H5::H5File in apps. to be replaced by triqs::h5::file, same API.
- using only the C API because :
- it is cleaner, better documented, more examples.
- it is the native hdf5 interface.
- simplify the installation e.g. on mac. Indeed, hdf5 is
usually installed without C++ interface, which is optional.
E.g. EPD et al., brew by default.
Also the infamous mpi+ hdf5_cpp bug, for which we have no clean solution.
- clean the notion of parent of a group. Not needed, better iterate function in C LT API.
- modified doc : no need for C++ bindings any more.
- modified cmake to avoid requiring CPP bindings.
79 lines
4.8 KiB
ReStructuredText
79 lines
4.8 KiB
ReStructuredText
.. index:: Required libraries
|
|
|
|
.. _requirements:
|
|
|
|
A complete list of requirements
|
|
===============================
|
|
|
|
TRIQS is built upon several python and C++ libraries, which, if not present
|
|
already in your system, can be freely downloaded and installed. All the
|
|
libraries and tools used by TRIQS are described below.
|
|
|
|
.. _require_cxx_compilers:
|
|
|
|
C++ compilers
|
|
-------------
|
|
|
|
TRIQS is written in C++, i.e. in the **C++11** standard as defined by the ISO standardization committee.
|
|
A recent compiler is therefore mandatory.
|
|
|
|
* Standard compliant C++ compilers (recommended and supported).
|
|
|
|
* :ref:`clang 3.2<install_clang>` and higher (in particular the default clang on OS X 10.8).
|
|
* g++ 4.8.1 and higher
|
|
|
|
* The intel icc 14.0 is close to be C++11 compliant, but presents currently too many bugs to be supported
|
|
at present. It compiles 99% of TRIQS, but we do not have the ressources to write and
|
|
maintains all necessary workarounds.
|
|
|
|
Besides, for *our codes*, icc does not provide a significant speed gain (unlike MKL),
|
|
so we do not recommend it for TRIQS.
|
|
|
|
* C++98 compilers
|
|
|
|
* g++ before 4.8.1
|
|
* Intel icc 13.0 and below
|
|
|
|
Compilers implementing the previous version of the C++ standard (C++98) do not work and
|
|
will *not* be supported.
|
|
|
|
|
|
|
|
Libraries
|
|
---------
|
|
|
|
+------------------------+----------+------------------------------------------------------------------------+
|
|
| Library/tool | Version | Comment |
|
|
+========================+==========+========================================================================+
|
|
| mpi | openmpi | Parallelism (1). |
|
|
+------------------------+----------+------------------------------------------------------------------------+
|
|
| fftw | >= 3.2 | Fourier transforms |
|
|
+------------------------+----------+------------------------------------------------------------------------+
|
|
| boost | >= 1.49 | C++ librairies |
|
|
+------------------------+----------+------------------------------------------------------------------------+
|
|
| hdf5 | >= 1.8.2 | File storage system. Important: the *serial* version must be installed |
|
|
+------------------------+----------+------------------------------------------------------------------------+
|
|
| python | >= 2.7 | The Python interpreter |
|
|
+------------------------+----------+------------------------------------------------------------------------+
|
|
| scipy | >= ? | Python mathematical library |
|
|
+------------------------+----------+------------------------------------------------------------------------+
|
|
| numpy | >= ? | Python scientific library |
|
|
+------------------------+----------+------------------------------------------------------------------------+
|
|
| h5py | >= ? | Python interface to hdf5 library |
|
|
+------------------------+----------+------------------------------------------------------------------------+
|
|
| mpi4py | >= ? | Python MPI |
|
|
+------------------------+----------+------------------------------------------------------------------------+
|
|
| sphinx | >= 1.0.1 | Python documentation tools (to compile documentation) |
|
|
+------------------------+----------+------------------------------------------------------------------------+
|
|
| cmake | >= 2.8.7 | CMake is used to control the software compilation process |
|
|
+------------------------+----------+------------------------------------------------------------------------+
|
|
| pyparsing | >= ? | Tool for sphinx (to compile documentation) |
|
|
+------------------------+----------+------------------------------------------------------------------------+
|
|
| sphinxcontrib-doxylink | >= ? | Tool for sphinx (to compile documentation) |
|
|
+------------------------+----------+------------------------------------------------------------------------+
|
|
| matplotlib | >= 0.99 | Python 2D plotting library |
|
|
+------------------------+----------+------------------------------------------------------------------------+
|
|
|
|
(1) Since standard linux distributions (and macports on OS X) now provides openmpi, even on laptops, we avoid the unnecessary complication of maintaining a non-parallel version of TRIQS
|
|
|