Package Details: dftd4 3.4.0-1

Git Clone URL: https://aur.archlinux.org/dftd4.git (read-only, click to copy)
Package Base: dftd4
Description: A Generally Applicable Atomic-Charge Dependent London Dispersion Correction
Upstream URL: https://github.com/dftd4/dftd4
Licenses: LGPL3
Submitter: awvwgk
Maintainer: awvwgk
Last Packager: awvwgk
Votes: 1
Popularity: 0.000000
First Submitted: 2020-01-10 12:40 (UTC)
Last Updated: 2022-05-01 11:44 (UTC)

Latest Comments

MarsSeed commented on 2023-06-18 10:57 (UTC)

It does not make sense to make this depend on openblas package.

If you want this to use the optimized OpenBLAS implementation of lapack, please make this depend on the new blas-openblas package.

awvwgk commented on 2020-06-11 07:53 (UTC)

Fixed this upstream with https://github.com/dftd4/dftd4/pull/45 and updated the patch here to account for those changes as well.

berquist commented on 2020-06-11 02:00 (UTC)

This is not building with GCC 10.1.0 (and neither is the Git package):

[57/65] Compiling Fortran object 'd4test@exe/tests_eeq_model.f90.o'
FAILED: d4test@exe/tests_eeq_model.f90.o 
gfortran -Id4test@exe -I. -I.. -I../include -Idftd4@sta -fdiagnostics-color=always -pipe -O3 -fbacktrace -std=f2008 -fbounds-check -fopenmp -Wl,-O1,--sort-common,--as-needed,-z,relro,-z,now -D_FILE_OFFSET_BITS=64 -pthread -Jd4test@exe -o 'd4test@exe/tests_eeq_model.f90.o' -c ../tests/eeq_model.f90
../tests/eeq_model.f90:246:33:

  246 |    call generate_wsc(mol,mol%wsc)
      |                                 1
Error: Missing actual argument for argument ‘_formal_3’ at (1)
../tests/eeq_model.f90:343:33:

  343 |    call generate_wsc(mol,mol%wsc)
      |                                 1
Error: Missing actual argument for argument ‘_formal_3’ at (1)
[59/65] Compiling Fortran object 'd4test@exe/tests_dftd4.f90.o'
FAILED: d4test@exe/tests_dftd4.f90.o 
gfortran -Id4test@exe -I. -I.. -I../include -Idftd4@sta -fdiagnostics-color=always -pipe -O3 -fbacktrace -std=f2008 -fbounds-check -fopenmp -Wl,-O1,--sort-common,--as-needed,-z,relro,-z,now -D_FILE_OFFSET_BITS=64 -pthread -Jd4test@exe -o 'd4test@exe/tests_dftd4.f90.o' -c ../tests/dftd4.f90
../tests/dftd4.f90:394:41:

  394 |    call generate_wsc(mol,mol%wsc,wsc_rep)
      |                                         1
Error: More actual than formal arguments in procedure call at (1)
../tests/dftd4.f90:532:41:

  532 |    call generate_wsc(mol,mol%wsc,wsc_rep)
      |                                         1
Error: More actual than formal arguments in procedure call at (1)