WIP: Meson builds

meson.build

@@ -16,7 +16,9 @@ atomistica_target = 'standalone'
 
 #add_global_arguments('-ffree-form', language: 'fortran')
 
-# Store global configuration to dictionary
+#
+# Configure atomistica and compiler
+#
 atomistica_date = run_command(python, '-c', '"import versioneer; print(versioneer.get_versions()[\'date\'])"').stdout().strip()
 if git.found()
     atomistica_url = run_command(git, 'config', '--get', 'remote.origin.url').stdout().strip()
@@ -33,6 +35,11 @@ if fortran_compiler.get_id() == 'gcc'
     add_project_arguments('-DNO_BIND_C_OPTIONAL', language: 'fortran')  # Only gfortran
     # Disable some warnings
     add_project_arguments('-Wno-unused-dummy-argument', language: 'fortran')
+    add_project_arguments('-Wno-character-truncation', language: 'fortran')
+    add_project_arguments('-Wno-conversion', language: 'fortran')
+    add_project_arguments('-Wno-tabs', language: 'fortran')
+    add_project_arguments('-Wno-unused-function', language: 'fortran')
+    add_project_arguments('-Wno-unused-variable', language: 'fortran')
 endif
 
 atomistica_configuration = configuration_data({
@@ -45,6 +52,11 @@ atomistica_configuration = configuration_data({
     'compilerversion': fortran_compiler.version()
 })
 
+
+#
+# Find dependencies
+#
+
 fftw3 = dependency('fftw3', required: false)
 if fftw3.found()
     atomistica_with_fftw3 = true
@@ -65,7 +77,6 @@ else
     message('Atomistica netCDF: no')
 endif
 
-
 atomistica_dependencies = [fftw3, netcdf]
 
 subdir('src')

src/potentials/bop/brenner/meson.build

@@ -1,18 +1,17 @@
-pair_sources = [
-    'born_mayer.f90',
-    'double_harmonic.f90',
-    'harmonic.f90',
-    'lj_cut.f90',
-    'r6.f90',
+brenner_sources = [
+    'brenner.f90',
+    'brenner_scr.f90'
 ]
 
-incdirs = include_directories('../..', '../../support')
+incdirs = include_directories('../../..', '../../../support')
 
-potentials_pair = static_library(
-    'pair',
-    pair_sources,
+potentials_brenner = static_library(
+    'brenner',
+    brenner_sources,
     include_directories: incdirs,
     link_with: [atomistica_supplib, atomistica_corelib],
     dependencies: atomistica_dependencies,
     install: true  # needed, otherwise it is not copied to wheel
 )
+
+all_potentials_sources += brenner_sources

src/potentials/bop/juslin/meson.build

@@ -3,7 +3,7 @@ juslin_sources = [
     'juslin_scr.f90'
 ]
 
-incdirs = include_directories('../..', '../../support')
+incdirs = include_directories('../../..', '../../../support')
 
 potentials_juslin = static_library(
     'juslin',
@@ -13,3 +13,5 @@ potentials_juslin = static_library(
     dependencies: atomistica_dependencies,
     install: true  # needed, otherwise it is not copied to wheel
 )
+
+all_potentials_sources += juslin_sources

src/potentials/bop/kumagai/meson.build

@@ -3,13 +3,15 @@ kumagai_sources = [
     'kumagai_scr.f90'
 ]
 
-incdirs = include_directories('../..', '../../support')
+incdirs = include_directories('../../..', '../../../support')
 
 potentials_kumagai = static_library(
     'kumagai',
-    juslin_sources,
+    kumagai_sources,
     include_directories: incdirs,
     link_with: [atomistica_supplib, atomistica_corelib],
     dependencies: atomistica_dependencies,
     install: true  # needed, otherwise it is not copied to wheel
 )
+
+all_potentials_sources += kumagai_sources

src/potentials/bop/rebo2/bop_kernel_rebo2.f90

@@ -2336,7 +2336,7 @@ recursive subroutine BOP_KERNEL( &
                                                                    this%sfacbo(i1:i2) = this%sfacbo(i1:i2) + dffac
                                                                 endif
 
-#endif SCREENING
+#endif ! SCREENING
 
                                                              endif jl2_within_cutoff
 

src/potentials/bop/rebo2/meson.build

@@ -1,15 +1,18 @@
 rebo2_sources = [
+    'rebo2_default_tables.f90',
     'rebo2.f90',
     'rebo2_scr.f90'
 ]
 
-incdirs = include_directories('../..', '../../support')
+incdirs = include_directories('../../..', '../../../support')
 
 potentials_rebo2 = static_library(
     'rebo2',
-    juslin_sources,
+    rebo2_sources,
     include_directories: incdirs,
     link_with: [atomistica_supplib, atomistica_corelib],
     dependencies: atomistica_dependencies,
     install: true  # needed, otherwise it is not copied to wheel
 )
+
+all_potentials_sources += rebo2_sources

src/potentials/bop/tersoff/meson.build

@@ -3,13 +3,15 @@ tersoff_sources = [
     'tersoff_scr.f90'
 ]
 
-incdirs = include_directories('../..', '../../support')
+incdirs = include_directories('../../..', '../../../support')
 
 potentials_tersoff = static_library(
     'tersoff',
-    juslin_sources,
+    tersoff_sources,
     include_directories: incdirs,
     link_with: [atomistica_supplib, atomistica_corelib],
     dependencies: atomistica_dependencies,
     install: true  # needed, otherwise it is not copied to wheel
 )
+
+all_potentials_sources += tersoff_sources

src/potentials/coulomb/meson.build

@@ -20,9 +20,11 @@ incdirs = include_directories('../..', '../../support')
 
 potentials_coulomb = static_library(
     'coulomb',
-    pair_sources,
+    coulomb_sources,
     include_directories: incdirs,
     link_with: [atomistica_supplib, atomistica_corelib],
     dependencies: atomistica_dependencies,
     install: true  # needed, otherwise it is not copied to wheel
 )
+
+all_potentials_sources += coulomb_sources

src/potentials/eam/meson.build

@@ -13,3 +13,5 @@ potentials_eam = static_library(
     dependencies: atomistica_dependencies,
     install: true  # needed, otherwise it is not copied to wheel
 )
+
+potentials_sources += eam_sources

src/potentials/meson.build

@@ -1,3 +1,16 @@
+all_potentials_sources = []
+
+potentials_sources = []
+subdir('bop')
+subdir('coulomb')
 subdir('dispersion')
 subdir('eam')
-subdir('pair')
+subdir('pair')
+
+
+message('=== LISTCLASSES ===')
+
+r = run_command(python, '../../tools/listclasses.py', all_potentials_sources, check: truew)
+message(r.stdout())
+message(r.stderr())
+

tools/listclasses.py

@@ -5,8 +5,6 @@
 # and scan metadata.
 #
 
-from __future__ import print_function
-
 import getopt
 import io
 import os
@@ -147,17 +145,18 @@ def write_interface_info(metadata, interface, finterface_list, exclude_list,
                                   ['exclude=', 'has_finterface='])
 
     if len(args) < 5:
-        raise RuntimeError('Syntax: listclasses.py <path> <interface> '
+        raise RuntimeError('Syntax: listclasses.py <interface> '
                            '<definition-file> <makefile> <config-file> '
+                           '<source-file-1> <source-file-2> ... '
                            '[-I<include directory>] '
                            '[--exclude=<exclude list>] '
                            '[--has_finterface=<interface list>]')
 
-    path = args[0]
-    interface = args[1]
-    deffn = args[2]
-    mkfn = args[3]
-    cfgfn = args[4]
+    #interface = args[0]
+    #deffn = args[1]
+    #mkfn = args[2]
+    #cfgfn = args[3]
+    path = args[0:]
 
     exclude_list = []
     finterface_list = []
@@ -178,7 +177,7 @@ def write_interface_info(metadata, interface, finterface_list, exclude_list,
     print('Scanning metadata of all source files...')
     metadata = scanallmeta(path)
 
-    print("Dumping information for classes that implement '{0}' interface..." \
-        .format(interface))
-    write_interface_info(metadata, interface, finterface_list, exclude_list,
-                         include_list, deffn, mkfn, cfgfn)
+    #print("Dumping information for classes that implement '{0}' interface..." \
+    #    .format(interface))
+    #write_interface_info(metadata, interface, finterface_list, exclude_list,
+    #                     include_list, deffn, mkfn, cfgfn)