diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml deleted file mode 100644 index e711b07f772986c6c07c3e88df5c1282a4d505f0..0000000000000000000000000000000000000000 --- a/.gitlab-ci.yml +++ /dev/null @@ -1,17 +0,0 @@ -# image: gitlab-registry.mpcdf.mpg.de/nomad-lab/atomic-features-package -# stages: -# - doc_builds -# pages: -# stage: doc_builds -# script: -# - cd docs/ -# - make html -# - mv _build/html/ ../../public/ -# - cd ../../ -# artifacts: -# paths: -# - public -# only: -# - master -# - docs -# - joss diff --git a/CHANGELOG b/CHANGELOG index 3ae0c67b60a85875c4eec23d90f7f03707b5170f..c6bf1fb43c2d5c0410605b621155164be8370825 100644 --- a/CHANGELOG +++ b/CHANGELOG @@ -4,10 +4,13 @@ v 0.0.2 v 1.0.0 -1) added atomic_properties_webele module and corresponding methods to periodictable module to show heatmaps of atomic features accessible. - +1) added atomic_properties_webele module and corresponding methods to periodictable module to show heatmaps of atomic features accessible. 2) Updated definition methods in atomic_properites_dft, atomic_properites_lda2015, atomic_properites_pymat, atomic_properites_matminer, atomic_properites_webele - 3) Updated html and pdf documentation to match latest version +v 1.0.1 +1) updated python setup process +2) updated package names according to PEP8 +3) got rid of deprecation warnings +4) diff --git a/pyproject.toml b/pyproject.toml index 7b2e4221c6263b6ce36d7a5e3f2d45dca9ce6109..1caae063a3e40b754ea6df3c65ff49a6ddb8424f 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta" [project] name = "atomic-features-package" -version = "1.0.0" +version = "1.0.1" authors = [{ name = "Aakash Ashok Naik", email = "naik@fhi-berlin.mpg.de" }] description = "Unified package to access atomic properites of elements" readme = "README.md"