From c60409c6d5a42dfff6b104b19e02ba33f22eadb3 Mon Sep 17 00:00:00 2001 From: Junya Otsuki Date: Mon, 26 Nov 2018 11:50:36 +0900 Subject: [PATCH] Update doc/install --- doc/install.rst | 128 +++++++++++++++++++++++++++++++++++++++++++----- 1 file changed, 116 insertions(+), 12 deletions(-) diff --git a/doc/install.rst b/doc/install.rst index aee53d71..313b3dc4 100644 --- a/doc/install.rst +++ b/doc/install.rst @@ -6,6 +6,30 @@ Installation ============ +Download +-------- + +You can download the source files in two ways. + +- **[Release version]** + + Go to the `release page `_ and download the latest tar or zip file. + You can unpack, for example, the tar file by + + .. code-block:: bash + + $ tar zxvf v1.x.x.tar.gz + +- **[Develop version]** + + Newly implemented features are available in the source code in GitHub repository. You can clone the repository by + + .. code-block:: bash + + $ git clone https://github.com/issp-center-dev/DCore.git dcore.src + + The master branch basically corresponds to the latest released package, and the develop branch includes new features. Note that the develop branch may not be well tested and contains some bugs. + Prerequisites ------------- @@ -70,7 +94,7 @@ Prerequisites .. note:: - If you want to treat the spin-orbit coupling in `TRIQS/cthyb` solver, + If you want to treat the spin-orbit coupling in ``TRIQS/cthyb`` solver, it must be built with the following CMake options: :: @@ -84,37 +108,117 @@ Prerequisites .. note:: ALPSCore/CT-HYB is a standalone program with an interface based on text and HDF5 files. - "triqs_interface" is a TRIQS-compatible Python interface of ALPSCore/CT-HYB. + "triqs_interface" is a TRIQS-compatible Python interface of ``ALPSCore/CT-HYB``. This allows to use this impurity solver transparently from DCore (built with TRIQS python architecture). - The main developer of ALPSCore/CT-HYB, H. Shinaoka, is one of the developers of DCore. + The main developer of ``ALPSCore/CT-HYB``, H. Shinaoka, is one of the developers of DCore. - Both of ALPSCore/CT-HYB and TRIQS/cthyb implement the hybridization-expansion continuous-time quantum Monte Carlo method. + Both of ``ALPSCore/CT-HYB`` and ``TRIQS/cthyb`` implement the hybridization-expansion continuous-time quantum Monte Carlo method. The main difference is the reliability of measurement of the single-particle Green's function. ALPSCore/CT-HYB uses a more elaborate algorithm (worm sampling). - The non-worm conventional sampling, which is implemented in TRIQS/cthyb, + The non-worm conventional sampling, which is implemented in ``TRIQS/cthyb``, may give wrong results in some situations (e.g. SOI coupling with orbital-diagonal bath). Installation steps ------------------ -#. Download the sources from github :: +#. Create an empty build directory where you will compile the code - $ git clone https://github.com/issp-center-dev/DCore.git dcore.src - -#. Create an empty build directory where you will compile the code:: + :: $ mkdir dcore.build && cd dcore.build -#. In the build directory call cmake specifying where the TRIQS library is installed:: +#. In the build directory call cmake specifying where the TRIQS library is installed + + :: + + $ cmake -DTRIQS_PATH=path_to_triqs path_to_dcore_src - $ cmake -DTRIQS_PATH=path_to_triqs ../dcore.src + Here, *path_to_triqs* refers to your ``TRIQS`` install directory, and *path_to_dcore_src* refers to the ``DCore`` source directory. -#. Compile the code, run the tests and install the application:: +#. Compile the code by + + :: $ make + +#. We recommend that you run the tests to check the compiling is properly finished. Type + + :: + $ make test + + The test results look like + + :: + + Running tests... + Test project /Users/k-yoshimi/CLionProjects/DCore/build + Start 1: typed_parser + 1/21 Test #1: typed_parser ..................... Passed 0.62 sec + Start 2: openmx + 2/21 Test #2: openmx ........................... Passed 0.66 sec + Start 3: respack + 3/21 Test #3: respack .......................... Passed 0.64 sec + Start 4: pre_preset + 4/21 Test #4: pre_preset ....................... Passed 0.91 sec + Start 5: pre_wannier + 5/21 Test #5: pre_wannier ...................... Passed 2.42 sec + Start 6: pre_wannier_so + 6/21 Test #6: pre_wannier_so ................... Passed 0.77 sec + Start 7: pre_respack + 7/21 Test #7: pre_respack ...................... Passed 0.86 sec + Start 8: pre_respack_so + 8/21 Test #8: pre_respack_so ................... Passed 0.75 sec + Start 9: main_chain_hubbardI + 9/21 Test #9: main_chain_hubbardI .............. Passed 2.92 sec + Start 10: main_chain_hubbardI_so + 10/21 Test #10: main_chain_hubbardI_so ........... Passed 3.51 sec + Start 11: main_chain_triqsqmc + 11/21 Test #11: main_chain_triqsqmc ..............***Failed 0.70 sec + Start 12: main_chain_triqsqmc_so + 12/21 Test #12: main_chain_triqsqmc_so ...........***Failed 0.68 sec + Start 13: check_chain_hubbardI + 13/21 Test #13: check_chain_hubbardI ............. Passed 1.49 sec + Start 14: check_chain_hubbardI_so + 14/21 Test #14: check_chain_hubbardI_so .......... Passed 1.48 sec + Start 15: check_chain_triqsqmc + 15/21 Test #15: check_chain_triqsqmc .............***Failed 0.74 sec + Start 16: check_chain_triqsqmc_so + 16/21 Test #16: check_chain_triqsqmc_so ..........***Failed 0.76 sec + Start 17: check_chain_alpsqmc + 17/21 Test #17: check_chain_alpsqmc ..............***Failed 0.73 sec + Start 18: post_chain_hubbardI + 18/21 Test #18: post_chain_hubbardI .............. Passed 2.28 sec + Start 19: post_chain_hubbardI_so + 19/21 Test #19: post_chain_hubbardI_so ........... Passed 2.18 sec + Start 20: post_chain_triqsqmc + 20/21 Test #20: post_chain_triqsqmc ..............***Failed 0.71 sec + Start 21: post_chain_triqsqmc_so + 21/21 Test #21: post_chain_triqsqmc_so ...........***Failed 0.72 sec + + 67% tests passed, 7 tests failed out of 21 + + Total Test time (real) = 26.56 sec + + The following tests FAILED: + 11 - main_chain_triqsqmc (Failed) + 12 - main_chain_triqsqmc_so (Failed) + 15 - check_chain_triqsqmc (Failed) + 16 - check_chain_triqsqmc_so (Failed) + 17 - check_chain_alpsqmc (Failed) + 20 - post_chain_triqsqmc (Failed) + 21 - post_chain_triqsqmc_so (Failed) + + In this system, only Hubbard-I solver is installed, and all tests related to QMC are failed. The tests from 1 to 8 should be passed regardless of impurity solvers you installed. + +#. Finally, install by + + :: + $ make install + ``DCore`` is installed in the directory *path_to_triqs*. + .. Version compatibility .. --------------------- ..