diff --git a/Manifest.in b/Manifest.in index b1d02bd6..33be7d75 100644 --- a/Manifest.in +++ b/Manifest.in @@ -1,2 +1,4 @@ -include conf/orbital_colours.conf +include sumo/conf/orbital_colours.conf include sumo/symmetry/bradcrack.json +include LICENSE +include requirements.txt \ No newline at end of file diff --git a/examples/orbital_colours.conf b/examples/orbital_colours.conf new file mode 100644 index 00000000..55259fc6 --- /dev/null +++ b/examples/orbital_colours.conf @@ -0,0 +1,43 @@ +# Configuration file for orbital-projected plotting. +# To use custom colours in bandplot and dosplot, use +# the --conf argument to point to your modified copy +# of this file. +[O] +p = #0DB14B + +[N] +s = #00FFFF +p = #D93B2B + +[S] +s = #D93B2B +p = #0DB14B +d = #17479E + +[Se] +p = #0DB14B + +[C] +p = #17479E + +[Cl] +p = #A154A1 + +[Br] +p = #A154A1 + +[I] +p = #A154A1 + +[Pb] +s = #603813 +p = #FA9B04 + +[Sn] +s = #603813 +p = #FA9B04 + +[Re] +s = #603813 +p = #FA9B04 +d = #A154A1 diff --git a/setup.py b/setup.py index d0525058..087b57e2 100644 --- a/setup.py +++ b/setup.py @@ -40,8 +40,9 @@ def load_test_suite(): install_requires=['spglib', 'numpy', 'scipy', 'pymatgen>=2017.12.30', 'h5py', 'phonopy', 'matplotlib', 'seekpath'], extras_require={'docs': ['sphinx', 'sphinx-argparse']}, - package_data={'sumo': ['conf/orbital_colours.conf', - 'sumo/symmetry/bradcrack.json']}, + package_data={'sumo': ['symmetry/bradcrack.json', + 'plotting/orbital_colours.conf']}, + data_files=['examples/orbital_colours.conf', 'LICENSE', 'requirements.txt'], entry_points={'console_scripts': [ 'sumo-bandplot = sumo.cli.bandplot:main', 'sumo-bandstats = sumo.cli.bandstats:main', diff --git a/sumo/cli/bandplot.py b/sumo/cli/bandplot.py index cc023b7d..e666dcd6 100644 --- a/sumo/cli/bandplot.py +++ b/sumo/cli/bandplot.py @@ -446,7 +446,7 @@ def main(): if args.config is None: config_path = resource_filename(Requirement.parse('sumo'), - 'conf/orbital_colours.conf') + 'sumo.plotting/orbital_colours.conf') else: config_path = args.config colours = configparser.ConfigParser() diff --git a/sumo/cli/dosplot.py b/sumo/cli/dosplot.py index 0ae888ac..ae1b0e0e 100644 --- a/sumo/cli/dosplot.py +++ b/sumo/cli/dosplot.py @@ -298,7 +298,7 @@ def main(): if args.config is None: config_path = resource_filename(Requirement.parse('sumo'), - 'conf/orbital_colours.conf') + 'sumo/plotting/orbital_colours.conf') else: config_path = args.config colours = configparser.ConfigParser() diff --git a/conf/orbital_colours.conf b/sumo/plotting/orbital_colours.conf similarity index 100% rename from conf/orbital_colours.conf rename to sumo/plotting/orbital_colours.conf