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27 Commits

Author SHA1 Message Date
Pietro Davide Delugas 6e06d6ca7d fixing cp compilation for intel compiler 
make veryclean removes MBD build directory

if not removed during configure the presence of MBD may cause compilation failure

fixing missing initialization in CPV/src/stress.f90

cleanup of CPV/src/potentials.f90
 2021-11-20 20:46:25 +01:00
Ye Luo 4841273f08 Add initialize_external_repos.sh. 2021-11-07 15:50:50 -06:00
Ye Luo ec69857974 Introduce CMake options to configure nvfortran. 2021-09-02 22:48:49 -05:00
Ye Luo e8fb61650f Allow setting QE_CPP for an alternative C preprocessor. 2021-07-20 12:54:34 -05:00
Ye Luo fd4abf5fbe Update comments. 2021-05-18 01:41:38 -05:00
Ye Luo 01608d851f Only fetch necessary parts. 2021-05-18 00:58:11 -05:00
Ye Luo dbf306d739 Enable CMake support when source is not git repo. 2021-05-18 00:18:29 -05:00
Daniele Cesarini 042a8ca1a0 CMake fixes for shared lib builds and added a CI build for NVHPC 2021-04-06 19:07:49 +00:00
Daniele Cesarini 586f66aadf Introduce CUDA support in CMake with some refactoring. 2021-01-18 14:50:50 +00:00
Ye Luo b0bb51b463 Add -P to cpp 2020-10-17 23:57:16 -05:00
Ye Luo ac8c0dfcf1 Use erf instead of derf to pass PGI. 2020-10-17 15:23:28 -05:00
Ye Luo 419c89bcdf Use cpp as the preprocessor for headers. 2020-10-17 14:20:12 -05:00
Pietro Delugas 5b311fd404 replace -o with > in qe_preprocess_source 
for intel compiler the command
 `FC -cpp -E $(source)-o $(output)`
sends the output always to stdout.
 2020-09-29 18:11:34 +02:00
Federico Ficarelli 1f77001255 CMake source cleanup 2020-09-29 18:11:33 +02:00
Federico Ficarelli 8515fe693d Move build type selection to helpers 2020-09-29 18:11:33 +02:00
Federico Ficarelli 4853fe5cd4 Add qe helper to preprocess explicitly fortran sources 2020-09-29 18:11:33 +02:00
Federico Ficarelli d3d170d838 Add global defs to LAX fortran preprocessed headers 2020-09-29 18:11:33 +02:00
Federico Ficarelli 4d2c28ee04 Streamline management of global compile definitions 2020-09-29 18:11:33 +02:00
Federico Ficarelli f37c4fe2bc Simplify preprocess flag detection 2020-09-29 18:11:33 +02:00
Federico Ficarelli 921853902e Update build system to latest changes from upstream 2020-09-29 18:11:33 +02:00
Daniele Cesarini 37ec8cc7bd Fixed lapack vendoring 2020-09-29 18:11:33 +02:00
Daniele Cesarini c0b1383dc7 Fix Fortran preprocessor bug in C source files 2020-09-29 18:11:32 +02:00
Daniele Cesarini fc09ef40e4 Removed cmake function preprocessing and replaced with _qe_add_global_target 2020-09-29 18:11:32 +02:00
Daniele Cesarini 90840d6caf Fix preprocessor flags for Fortran files 2020-09-29 18:11:32 +02:00
Federico Ficarelli 6eaade7658 Fix modules unique location for executable targets 2020-09-29 18:11:32 +02:00
Federico Ficarelli b6af940d20 Use uniquely named module directories for all targets 
All targets use uniquely named directories for fortran modules
generation both during build and install. This should fix
non-deterministic issues with parallel builds due to duplicate
module names scattered all across the qe code base. Clashing
duplicate modules are:

n. of instances, module name
----------------------------
2 coef_cg.mod
2 coef_gaunt.mod
2 edge_energy.mod
2 mp_world.mod
 2020-09-29 18:11:32 +02:00
Federico Ficarelli 9de7e2d780 Move CMake helper functions to proper module 2020-09-29 18:11:29 +02:00