Dalton 2016 Installation Issue

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chemphysstudent
Posts: 3
Joined: 23 Jul 2017, 16:25
First name(s): Joe
Last name(s): Shmoe
Affiliation: Yale University
Country: United States

Dalton 2016 Installation Issue

Post by chemphysstudent » 23 Jul 2017, 17:57

I'm trying to install Dalton2016 for Mac (El Capitan). I'm following the installation procedure given at http://dalton-installation.readthedocs. ... neral.html, but am having trouble on the very first step.

I've downloaded the install tar.gz file, have it saved in my main directory, and am now trying to run the setup file. However, in terminal when I go into the Dalton Source folder and call "./setup --help" I immediately see the error:

Code: Select all

  
  File "./setup", line 372
    os.makedirs(build_path, 0755)
    
Based on browsing old help requests, I see that this might be because I have Python 3 installed on my device, but even after switching to Python 2 in terminal the problem persists.

Any suggestions of how to proceed?

chemphysstudent
Posts: 3
Joined: 23 Jul 2017, 16:25
First name(s): Joe
Last name(s): Shmoe
Affiliation: Yale University
Country: United States

Re: Dalton 2016 Installation Issue

Post by chemphysstudent » 23 Jul 2017, 20:16

I've "updated" Python so my computer by default calls 2.7 rather than 3.6, and now I at least get a little further. But now it appears the fortran complier fails. Any suggestions?

Code: Select all

CMake Error at /usr/local/Cellar/cmake/3.9.0/share/cmake/Modules/CMakeTestFortranCompiler.cmake:44 (message):
  The Fortran compiler "/usr/local/bin/gfortran" is not able to compile a
  simple test program.

  It fails with the following output:

   Change Dir: /Users/Joe/DALTON-Source/build/CMakeFiles/CMakeTmp

  

  Run Build Command:"/usr/bin/make" "cmTC_9a26c/fast"

  /Applications/Xcode.app/Contents/Developer/usr/bin/make -f
  CMakeFiles/cmTC_9a26c.dir/build.make CMakeFiles/cmTC_9a26c.dir/build

  Building Fortran object CMakeFiles/cmTC_9a26c.dir/testFortranCompiler.f.o

  /usr/local/bin/gfortran -c
  /Users/Joe/DALTON-Source/build/CMakeFiles/CMakeTmp/testFortranCompiler.f -o
  CMakeFiles/cmTC_9a26c.dir/testFortranCompiler.f.o

  FATAL:/opt/local/bin/../libexec/as/x86_64/as: I don't understand 'm' flag!

  make[1]: *** [CMakeFiles/cmTC_9a26c.dir/testFortranCompiler.f.o] Error 1

  make: *** [cmTC_9a26c/fast] Error 2

  

  

  CMake will not be able to correctly generate this project.
Call Stack (most recent call first):
  CMakeLists.txt:18 (project)


-- Changed cmake policy to version 3.0, except for policy CMP037
-- The Fortran compiler identification is unknown
-- The C compiler identification is AppleClang 8.1.0.8020042
-- The CXX compiler identification is AppleClang 8.1.0.8020042
-- Checking whether Fortran compiler has -isysroot
-- Checking whether Fortran compiler has -isysroot - yes
-- Checking whether Fortran compiler supports OSX deployment target flag
-- Checking whether Fortran compiler supports OSX deployment target flag - yes
-- Check for working Fortran compiler: /usr/local/bin/gfortran
-- Check for working Fortran compiler: /usr/local/bin/gfortran  -- broken
-- Configuring incomplete, errors occurred!
See also "/Users/Joe/DALTON-Source/build/CMakeFiles/CMakeOutput.log".
See also "/Users/Joe/DALTON-Source/build/CMakeFiles/CMakeError.log"


ejberquist
Posts: 12
Joined: 26 Feb 2014, 22:05
First name(s): Eric
Last name(s): Berquist
Affiliation: University of Pittsburgh
Country: United States

Re: Dalton 2016 Installation Issue

Post by ejberquist » 09 Aug 2017, 21:25

It looks like you have extra stuff in /opt that you probably don't want. Is it from an old MacPorts install? If you clean that out so there are no conflicts, I've had no problems using the compilers from Homebrew (brew install gcc) with this script:

Code: Select all

#!/bin/bash

# source me!

ver=2016.2
dir_build="${apps}"/build/dalton_"${ver}"
dir_source="${apps}"/dalton/2016.2-source

rm -rf "${dir_build}"
mkdir "${dir_build}"
cd "${dir_source}"

./setup \
    --prefix="$apps"/dalton/$ver \
    --fc=gfortran-7 \
    --cc=gcc-7 \
    --cxx=g++-7 \
    --omp \
    "${dir_build}"

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