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sanshar / Block

Block implements the density matrix renormalization group (DMRG) algorithm for quantum chemistry.
GNU General Public License v3.0
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error installation using boost 1.71.0 #57

Open defanet opened 3 years ago

defanet commented 3 years ago

I know that block mush be compiled with boost 1.55, but I can't find that package anymore, then when I try use 1.71.0 version this error show up:

$ make g++ -I. -I./include/ -I./ -I./newmat10/ -I/opt/local/include -I. -I./modules/generate_blocks/ -I./modules/onepdm -I./modules/twopdm/ -I./modules/npdm -I./modules/two_index_ops -I./modules/three_index_ops -I./modules/four_index_ops -std=c++0x -I./modules/ResponseTheory -I./modules/nevpt2 -I./molcas -I./modules/mps_nevpt -DNDEBUG -O2 -g -funroll-loops -Werror -DBLAS -DUSELAPACK -DSERIAL -DBOOST_1_71_0 -DFAST_MTP -D_HAS_CBLAS -c saveBlock.C -o saveBlock.o In file included from input.h:21, from global.h:36, from pario.h:7, from ObjectMatrix.h:12, from StackBaseOperator.h:12, from StackOperators.h:3, from Stack_op_components.h:23, from Stackspinblock.h:7, from saveBlock.C:8: /usr/include/boost/tr1/unordered_map.hpp:8:38: error: too many decimal points in number 8 | boost/tr1/unordered_map.hpp - 1.47.0 | ^~ In file included from input.h:21, from global.h:36, from pario.h:7, from ObjectMatrix.h:12, from StackBaseOperator.h:12, from StackOperators.h:3, from Stack_op_components.h:23, from Stackspinblock.h:7, from saveBlock.C:8: /usr/include/boost/tr1/unordered_map.hpp:55:12: error: #include expects "FILENAME" or 55 | # include <boost/tr1/detail/config.hpp> | ^ /usr/include/boost/tr1/unordered_map.hpp:68:10: error: #include expects "FILENAME" or 68 | #include <boost/unordered_map.hpp> | ^ QC-DMRGIn file included from input.h:21, from global.h:36, from pario.h:7, from ObjectMatrix.h:12, from StackBaseOperator.h:12, from StackOperators.h:3, from Stack_op_components.h:23, from Stackspinblock.h:7, from saveBlock.C:8: /usr/include/boost/tr1/unordered_map.hpp:1:1: error: expected unqualified-id before ‘<’ token 1 | <!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Strict//EN" | ^ /usr/include/boost/tr1/unordered_map.hpp:10:91: error: expected unqualified-id before ‘<’ token 10 | | ^ /usr/include/boost/tr1/unordered_map.hpp:29:56: error: expected unqualified-id before ‘<’ token 29 | world. — <a href= | ^ input.h:102:3: error: ‘calcType’ does not name a type 102 | calcType m_calc_type; | ^~~~ input.h:103:3: error: ‘noiseTypes’ does not name a type 103 | noiseTypes m_noise_type; | ^~~~~~ input.h:104:3: error: ‘hamTypes’ does not name a type 104 | hamTypes m_ham_type; | ^~~~ input.h:105:3: error: ‘WarmUpTypes’ does not name a type 105 | WarmUpTypes m_warmup; | ^~~ input.h:107:3: error: ‘solveTypes’ does not name a type 107 | solveTypes m_solve_type; | ^~~~~~ input.h:136:3: error: ‘algorithmTypes’ does not name a type 136 | algorithmTypes m_algorithm_type; | ^~~~~~ input.h:177:3: error: ‘orbitalFormat’ does not name a type 177 | orbitalFormat m_orbformat;

and many other errors, boost 1.71.0 doesn't have tr1 module so I copy-paste from the older version but still doesn't work

dithillobothrium commented 3 years ago

Hi,

I compiled with boost 1.74 and OMPI 4.0 and it works. But I needed to change some MPI calls in the code.