LSDalton setup problem related to ScaTeLib

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elias
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Joined: 02 Oct 2017, 09:59
First name(s): Elias
Last name(s): Rudberg
Affiliation: Uppsala University
Country: Sweden

LSDalton setup problem related to ScaTeLib

Post by elias » 02 Oct 2017, 12:14

Hello!

I have some trouble trying to compile LSDalton on a Linux computer running Ubuntu 16.04.3.

What I would like to do is to download and build the latest stable released version of LSDalton.

Following the link at http://daltonprogram.org/download/ I come to this page:

https://gitlab.com/dalton/lsdalton/tree/release/1.3

There under "Quick start" it is suggested that I should do the following to clone the repository:

git clone --recursive git@gitlab.com:dalton/lsdalton.git

but doing that gives the following error message:
========================================================
Cloning into 'lsdalton'...
Permission denied (publickey).
fatal: Could not read from remote repository.

Please make sure you have the correct access rights
and the repository exists.
========================================================

I don't know why that did not work, but anyway I managed to get the code in the following way instead:

git clone https://gitlab.com/dalton/lsdalton.git

and then checkout the latest stable release branch:

git checkout release/1.3

Then I try to build the code using the "setup" script:

./setup

but that gives an error message related to "ScaTeLib".

Here is the whole output from running "./setup":
========================================================
-- GIT_BRANCH : release/1.3
CMake Error at /usr/share/cmake-3.5/Modules/ExternalProject.cmake:1915 (message):
No download info given for 'ScaTeLib' and its source directory:

/home/elias/LSDalton/tttt/lsdalton/external/ScaTeLib

is not an existing non-empty directory. Please specify one of:

* SOURCE_DIR with an existing non-empty directory
* URL
* GIT_REPOSITORY
* HG_REPOSITORY
* CVS_REPOSITORY and CVS_MODULE
* SVN_REVISION
* DOWNLOAD_COMMAND
Call Stack (most recent call first):
/usr/share/cmake-3.5/Modules/ExternalProject.cmake:2459 (_ep_add_download_command)
cmake/TensorLibrary.cmake:23 (ExternalProject_Add)
cmake/LibsLSDALTON.cmake:263 (include)
CMakeLists.txt:220 (include)

-- System : Linux
-- Processor type : x86_64
-- Fortran compiler flags: -DVAR_GFORTRAN -ffloat-store -fcray-pointer -m64 -O3 -ffast-math -funroll-loops -ftree-vectorize
-- C compiler flags : -std=c99 -DRESTRICT=restrict -DFUNDERSCORE=1 -DHAVE_NO_LSEEK64 -ffloat-store -Wall -m64 -O3 -ffast-math -funroll-loops -ftree-vectorize -Wno-unused
-- Libraries : /usr/lib/libopenblas.so;/usr/lib/liblapack.so
-- Definitions : SYS_LINUX;SYS_UNIX;VAR_GFORTRAN;COMPILER_UNDERSTANDS_FORTRAN_2003;VAR_PTR_RESHAPE;HAVE_OPENBLAS_BLAS;HAVE_SYSTEM_NATIVE_LAPACK;VAR_DEC;BUILD_PELIB;VAR_MFDS;_FILE_OFFSET_BITS=64;IMPLICIT_NONE;BINARY_INFO_AVAILABLE;INSTALL_BASDIR="/home/elias/LSDalton/tttt/lsdalton/build/basis";VAR_RSP;INSTALL_WRKMEM=64000000;INSTALL_MMWORK=1;VAR_XCFUN;VAR_ENABLE_TENSORS
Configuring system: Ubuntu
FC=gfortran CC=gcc CXX=g++ cmake -DENABLE_MPI=OFF -DENABLE_SGI_MPT=OFF -DENABLE_OMP=OFF -DENABLE_64BIT_INTEGERS=OFF -DENABLE_GPU=OFF -DENABLE_CUBLAS=OFF -DENABLE_REAL_SP=OFF -DENABLE_CSR=OFF -DENABLE_SCALASCA=OFF -DENABLE_VAMPIRTRACE=OFF -DENABLE_TIMINGS=OFF -DENABLE_STATIC_LINKING=OFF -DENABLE_SCALAPACK=OFF -DCMAKE_BUILD_TYPE=release /home/elias/LSDalton/tttt/lsdalton

-- Changed cmake policy to version 3.0, except for policy CMP037
-- The Fortran compiler identification is GNU 5.4.0
-- The C compiler identification is GNU 5.4.0
-- The CXX compiler identification is GNU 5.4.0
-- Check for working Fortran compiler: /usr/bin/gfortran
-- Check for working Fortran compiler: /usr/bin/gfortran -- works
-- Detecting Fortran compiler ABI info
-- Detecting Fortran compiler ABI info - done
-- Checking whether /usr/bin/gfortran supports Fortran 90
-- Checking whether /usr/bin/gfortran supports Fortran 90 -- yes
-- Check for working C compiler: /usr/bin/gcc
-- Check for working C compiler: /usr/bin/gcc -- works
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Detecting C compile features
-- Detecting C compile features - done
-- Check for working CXX compiler: /usr/bin/g++
-- Check for working CXX compiler: /usr/bin/g++ -- works
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- Performing Test COMPILER_UNDERSTANDS_FORTRAN03
-- Performing Test COMPILER_UNDERSTANDS_FORTRAN03 - Success
-- Performing Test PTR_RESHAPE_WORKS
-- Performing Test PTR_RESHAPE_WORKS - Success
-- Math lib search order is MKL;ESSL;OPENBLAS;ATLAS;ACML;SYSTEM_NATIVE
-- You can select a specific type by defining for instance -D BLAS_TYPE=ATLAS or -D LAPACK_TYPE=ACML
-- or by redefining MATH_LIB_SEARCH_ORDER
-- Found BLAS: OPENBLAS (/usr/lib/libopenblas.so)
-- Found LAPACK: SYSTEM_NATIVE (/usr/lib/liblapack.so)
-- Found Git: /usr/bin/git
-- Polarizable Continuum Model via PCMSolver DISABLED
-- Configuring incomplete, errors occurred!
See also "/home/elias/LSDalton/tttt/lsdalton/build/CMakeFiles/CMakeOutput.log".
========================================================

Any ideas on what I could do to make this work?

Is the user expected to download and install "ScaTeLib" first, and if so, what is the best/easiest way of doing that?

Any help would be greatly appreciated!

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magnus
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Joined: 27 Jun 2013, 16:32
First name(s): Jógvan Magnus
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Country: Norway

Re: LSDalton setup problem related to ScaTeLib

Post by magnus » 02 Oct 2017, 12:34

I believe that what you need is:

Code: Select all

git clone --branch release/1.3 --recursive https://gitlab.com/dalton/lsdalton.git
In your first attempt at appears that you used the ssh protocol and in the latter you used https, which worked but you didn't download the external submodules (which you get using the "--recursive" option). The "--branch release/1.3" option will clone directly to the release branch. If you omit this and then checkout the release, you will need to do a "git submodule update" after switching to the release branch:

Code: Select all

git checkout release/1.3
git submodule update

elias
Posts: 5
Joined: 02 Oct 2017, 09:59
First name(s): Elias
Last name(s): Rudberg
Affiliation: Uppsala University
Country: Sweden

Re: LSDalton setup problem related to ScaTeLib

Post by elias » 02 Oct 2017, 15:02

OK, yes, that works.
Interesting, this "submodules" thing is new to me.

Thanks for your help!

/ Elias

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