gaussianrunner

What's Changed

• chore(deps): update actions/checkout action to v4 by @renovate in https://github.com/njzjz/gaussianrunner/pull/84
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/njzjz/gaussianrunner/pull/83
• fix include by @njzjz in https://github.com/njzjz/gaussianrunner/pull/86
• add LGPLv3 license by @njzjz in https://github.com/njzjz/gaussianrunner/pull/85

New Contributors

• @pre-commit-ci made their first contribution in https://github.com/njzjz/gaussianrunner/pull/83

Full Changelog: https://github.com/njzjz/gaussianrunner/compare/v1.0.33...v1.0.34

What's Changed

• chore(deps): update actions/setup-python action to v4 by @renovate in https://github.com/njzjz/gaussianrunner/pull/74
• migrate from setup.py to pyproject.toml; move tests out of package by @njzjz in https://github.com/njzjz/gaussianrunner/pull/75
• drop Python 3.6 support by @njzjz in https://github.com/njzjz/gaussianrunner/pull/76
• fix tox4 compatibility by @njzjz in https://github.com/njzjz/gaussianrunner/pull/77
• use OIDC to publish packages by @njzjz in https://github.com/njzjz/gaussianrunner/pull/78
• update README by @njzjz in https://github.com/njzjz/gaussianrunner/pull/79
• add pre-commit hooks by @njzjz in https://github.com/njzjz/gaussianrunner/pull/80
• replace pkg_resources with importlib_metadata by @njzjz in https://github.com/njzjz/gaussianrunner/pull/81
• fix codecov report by @njzjz in https://github.com/njzjz/gaussianrunner/pull/82

Full Changelog: https://github.com/njzjz/gaussianrunner/compare/v1.0.22...v1.0.33

fix: add openbabel-wheel to install_require (#68)

v1.0.21 (2019-11-19)

🐛 Bug Fixes

• support openbabel 3.0 (https://github.com/njzjz/gaussianrunner/commit/ac10dc41c48915563cd7928db8ff4b1397b4d99b) by Jinzhe Zeng

v1.0.20...v1.0.21

v1.0.20 (2019-05-13)

🐛 Bug Fixes

• save analysis data (https://github.com/njzjz/gaussianrunner/commit/29e9c703aa1434f3bbbc3b8e55f6612571ef393b) by Jinzhe Zeng
• bugfix (https://github.com/njzjz/gaussianrunner/commit/fff69b89124194dff123e0c6f85f6a2d47cf4023) by Jinzhe Zeng

v1.0.19...v1.0.20

v1.0.19 (2019-04-06)

🐛 Bug Fixes

• travis-ci pip cache (https://github.com/njzjz/gaussianrunner/commit/94ab559cf13fc9a995d56d9aeb74ca9f0adced67) by Jinzhe Zeng

v1.0.18...v1.0.19

v1.0.18 (2019-02-05)

🐛 Bug Fixes

• test (https://github.com/njzjz/gaussianrunner/commit/21e5c8b2492db1580f4362c0d1180078b14073e7) by Jinzhe Zeng
• repeat (https://github.com/njzjz/gaussianrunner/commit/2576bf161f0b5159bc0a4009144e44fc14f69e14) by Jinzhe Zeng

v1.0.17...v1.0.18

v1.0.17 (2019-02-04)

🐛 Bug Fixes

• styles (https://github.com/njzjz/gaussianrunner/commit/b47ba49782848b1914b8bff34828dea40f62a6b4) by Jinzhe Zeng
• requirement (https://github.com/njzjz/gaussianrunner/commit/238c8b5b63355c3223b6ab04596018d7c4cabe9b) by Jinzhe Zeng

v1.0.16...v1.0.17

v1.0.16 (2019-02-04)

🐛 Bug Fixes

• shorten test time (https://github.com/njzjz/gaussianrunner/commit/2ef264222836ff8552c2a8aa2f4cc2cf2059517b) by Jinzhe Zeng
• use tgz (https://github.com/njzjz/gaussianrunner/commit/3dbfeabbc9bbf427a1eb9de7b5a7546647efc8b0) by Jinzhe Zeng
• readme (https://github.com/njzjz/gaussianrunner/commit/dec8f8770d269d1922c73c7ed390c384b84dd161) by Jinzhe Zeng

v1.0.15...v1.0.16

v1.0.15 (2019-02-04)

🐛 Bug Fixes

• try travis (https://github.com/njzjz/gaussianrunner/commit/75f90c4d548bae724178b72160154bdc6e5a44c8) by Jinzhe Zeng
• update secure (https://github.com/njzjz/gaussianrunner/commit/be8dcbeb1dc4db6d93d4f9ecdb866a713dfaefb0) by Jinzhe Zeng
• gdown.pl log too much (https://github.com/njzjz/gaussianrunner/commit/640d0f551e14a72ee92d15cf91ef69c38180d64a) by Jinzhe Zeng
• typo (https://github.com/njzjz/gaussianrunner/commit/1042f7f2589cd33aee343c24e95e3250afdaf090) by Jinzhe Zeng
• add cache and openbabel (https://github.com/njzjz/gaussianrunner/commit/4fa420b0e07a05246ffbbf539863b90cb1287b12) by Jinzhe Zeng
• update cache (https://github.com/njzjz/gaussianrunner/commit/6fc741071218b63e14db6b81b06319b987bc1189) by Jinzhe Zeng
• no numpy requirement (https://github.com/njzjz/gaussianrunner/commit/d94cad4325c0350670ad3e1d0db91a2c3513bf04) by Jinzhe Zeng
• use tox (https://github.com/njzjz/gaussianrunner/commit/9147e94776be855b93071762403aca905a4a837f) by Jinzhe Zeng
• update setup.py and use pytest (https://github.com/njzjz/gaussianrunner/commit/31ad58e464674fa71343fdf0deb6602276e81156) by Jinzhe Zeng
• if statement (https://github.com/njzjz/gaussianrunner/commit/d314f114e5bc72d4d8df32799deac6e908fdcfcc) by Jinzhe Zeng
• fix bugs (https://github.com/njzjz/gaussianrunner/commit/78f1e5054e04786e7311ff9e667818a921a0b6b1) by Jinzhe Zeng
• hide download information (https://github.com/njzjz/gaussianrunner/commit/70d53dd7ce8d76d28ef6f8872011f7891e4d1af8) by Jinzhe Zeng
• typo (https://github.com/njzjz/gaussianrunner/commit/fb4dbc8fa0bd95f756ee11af722fb2283ac62d66) by Jinzhe Zeng
• add timeout for cache (https://github.com/njzjz/gaussianrunner/commit/ec49d6a07dcac56fa54458cc8579e2a64002b142) by Jinzhe Zeng
• prevent to use cache (https://github.com/njzjz/gaussianrunner/commit/4f2670b26f68ec9cf47cc8a6047a7293bf812942) by Jinzhe Zeng
• import error (https://github.com/njzjz/gaussianrunner/commit/b59250f295364aadfc57e55780f87c95240c8088) by Jinzhe Zeng
• nproc must be less than cpu_num (https://github.com/njzjz/gaussianrunner/commit/bea8f1c5f99cafa73c7a74b9d6922a15d16d47f5) by Jinzhe Zeng
• passenv (https://github.com/njzjz/gaussianrunner/commit/8c556d556fe4b77eed7a4085ccf36fd4fde88ac8) by Jinzhe Zeng

v1.0.14...v1.0.15