diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml
new file mode 100644
index 0000000..cfac193
--- /dev/null
+++ b/.github/workflows/ci.yml
@@ -0,0 +1,30 @@
+name: python-ci
+
+on: [push, pull_request]
+
+jobs:
+ build:
+ runs-on: ubuntu-20.04
+ strategy:
+ matrix:
+ python-version: ['3.9','3.10','3.11','3.12']
+ steps:
+ - uses: actions/checkout@v2
+ - name: Set up Python ${{ matrix.python-version }}
+ uses: actions/setup-python@v2
+ with:
+ python-version: ${{ matrix.python-version }}
+ - name: Install dependencies
+ run: |
+ python -m pip install --upgrade pip
+ pip install '.[dev]'
+ pip install pytest
+ pip install pytest-cov
+ - name: Generate coverage report
+ run: |
+ pytest --cov-report xml --cov=.
+ - name: Publish code coverage
+ if: github.event_name == 'push'
+ uses: paambaati/codeclimate-action@v2.7.5
+ env:
+ CC_TEST_REPORTER_ID: ${{ secrets.CODECLIMATE_REPO_TOKEN }}
diff --git a/.travis.yml b/.travis.yml
deleted file mode 100644
index f1bbef3..0000000
--- a/.travis.yml
+++ /dev/null
@@ -1,23 +0,0 @@
-language: python
-python:
-- '3.6'
-- 3.6-dev
-- '3.7'
-- 3.7-dev
-- '3.8'
-- 3.8-dev
-install:
-- pip install -r requirements.txt
-script:
-- coverage run --source=pylj setup.py test
-- coveralls
-deploy:
- provider: pypi
- user: arm61
- password:
- secure: 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
- on:
- distributions: sdist
- python: '3.7'
- branch: master
- repo: arm61/pylj
diff --git a/README.md b/README.md
index 4fe38f3..b8de8eb 100644
--- a/README.md
+++ b/README.md
@@ -69,24 +69,14 @@ Check out some [examples](https://github.com/arm61/pylj/tree/master/examples) of
| Build Status |
-
- 
-
- |
-
-
- |
-
-
- 
-
- |
+
+ 
| Coverage Status |
-
- 
+
+ 
|
diff --git a/appveyor.yml b/appveyor.yml
deleted file mode 100644
index f8a939c..0000000
--- a/appveyor.yml
+++ /dev/null
@@ -1,57 +0,0 @@
-environment:
- PYPI_PASSWORD:
- secure: cEan/s6SJJ6J6ODIulpmOw==
- matrix:
-
- # For Python versions available on Appveyor, see
- # http://www.appveyor.com/docs/installed-software#python
- # The list here is complete (excluding Python 2.6, which
- # isn't covered by this document) at the time of writing.
-
- - PYTHON: "C:\\Python36-x64"
- MINICONDA: "C:\\Miniconda"
- - PYTHON: "C:\\Python37-x64"
- MINICONDA: "C:\\Miniconda"
- - PYTHON: "C:\\Python38-x64"
- MINICONDA: "C:\\Miniconda"
-
-install:
- # We need wheel installed to build wheels
- - "SET PATH=%MINICONDA%;%MINICONDA%\\Scripts;%PATH%"
- - "%PYTHON%\\python.exe -m pip install -U twine wheel setuptools"
- - "%PYTHON%\\python.exe -m pip install -r requirements.txt"
- - "set PATH=%PATH%;C:\"%PYTHON%\\Scripts"
-
-build: off
-
-test_script:
- # Put your test command here.
- # If you don't need to build C extensions on 64-bit Python 3.3 or 3.4,
- # you can remove "build.cmd" from the front of the command, as it's
- # only needed to support those cases.
- # Note that you must use the environment variable %PYTHON% to refer to
- # the interpreter you're using - Appveyor does not do anything special
- # to put the Python version you want to use on PATH.
- - "%PYTHON%\\python.exe setup.py test"
-
-deploy_script:
- # This step builds your wheels.
- # Again, you only need build.cmd if you're building C extensions for
- # 64-bit Python 3.3/3.4. And you need to use %PYTHON% to get the correct
- # interpreter
- - "echo [pypi] > %USERPROFILE%\\.pypirc"
- - "echo username=arm61 >> %USERPROFILE%\\.pypirc"
- - "echo password=%PYPI_PASSWORD% >> %USERPROFILE%\\.pypirc"
- - "cat %USERPROFILE%\\.pypirc"
- - "%PYTHON%\\python.exe -m pip install twine"
- - "%PYTHON%\\python.exe setup.py bdist_wheel"
- - "%PYTHON%\\Scripts\\twine upload --skip-existing dist/*.whl"
-
-artifacts:
- # bdist_wheel puts your built wheel in the dist directory
- - path: dist\*
-
-#on_success:
-# You can use this step to upload your artifacts to a public website.
-# See Appveyor's documentation for more details. Or you can simply
-# access your wheels from the Appveyor "artifacts" tab for your build.
diff --git a/pylj/forcefields.py b/pylj/forcefields.py
index f2f1c12..2b7065f 100644
--- a/pylj/forcefields.py
+++ b/pylj/forcefields.py
@@ -2,7 +2,7 @@
from numba import njit
-@njit
+#Jit tag here had to be removed
def lennard_jones(dr, constants, force=False):
r"""Calculate the energy or force for a pair of particles using the
Lennard-Jones (A/B variant) forcefield.
@@ -38,7 +38,7 @@ def lennard_jones(dr, constants, force=False):
constants[1] * np.power(dr, -6))
-@njit
+#Jit tag here had to be removed
def lennard_jones_sigma_epsilon(dr, constants, force=False):
r"""Calculate the energy or force for a pair of particles using the
Lennard-Jones (sigma/epsilon variant) forcefield.
@@ -74,7 +74,7 @@ def lennard_jones_sigma_epsilon(dr, constants, force=False):
4 * constants[1] * np.power(constants[0], 6) * np.power(dr, -6))
-@njit
+#Jit tag here had to be removed
def buckingham(dr, constants, force=False):
r""" Calculate the energy or force for a pair of particles using the
Buckingham forcefield.