From 3f4013ac25c8f83810030b5f9df6402086d17adc Mon Sep 17 00:00:00 2001 From: dpastor Date: Wed, 1 Jun 2022 11:13:37 -0600 Subject: [PATCH] adding pip install --- .github/workflows/CI.yaml | 2 +- README.md | 2 +- devtools/conda-envs/test_env.yaml | 2 +- docs/requirements.yaml | 2 +- setup.py | 4 ++-- 5 files changed, 6 insertions(+), 6 deletions(-) diff --git a/.github/workflows/CI.yaml b/.github/workflows/CI.yaml index 551275d..99279e9 100644 --- a/.github/workflows/CI.yaml +++ b/.github/workflows/CI.yaml @@ -74,4 +74,4 @@ jobs: file: ./coverage.xml flags: unittests name: codecov-${{ matrix.os }}-py${{ matrix.python-version }} - token: '20912a4f-55b8-4cf7-829f-bc2d3df338a7' ## not needed when made public + # token: '20912a4f-55b8-4cf7-829f-bc2d3df338a7' ## not needed when made public diff --git a/README.md b/README.md index 8bae723..fecf734 100644 --- a/README.md +++ b/README.md @@ -62,7 +62,7 @@ For parallel contacts calculation: target_system.contacts.count_contacts() ``` -You can find more details on how to use **ufcc** in the documentation page (#TODO). +You can find more details on how to use **ufcc** in the [documentation page](https://ufcc.readthedocs.io/en/latest/index.html). License ======= diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml index f1fec80..016f1af 100644 --- a/devtools/conda-envs/test_env.yaml +++ b/devtools/conda-envs/test_env.yaml @@ -15,7 +15,7 @@ dependencies: - codecov # Package dependencies - - MDAnalysis + - mdanalysis - dask # Pip-only installs diff --git a/docs/requirements.yaml b/docs/requirements.yaml index faa1fd2..724e49e 100644 --- a/docs/requirements.yaml +++ b/docs/requirements.yaml @@ -6,7 +6,7 @@ dependencies: # Base depends - python - pip - - MDAnalysis + - mdanalysis - dask diff --git a/setup.py b/setup.py index e6d1086..0520e97 100644 --- a/setup.py +++ b/setup.py @@ -51,8 +51,8 @@ setup_requires=[] + pytest_runner, # Additional entries you may want simply uncomment the lines you want and fill in the data - url='https://github.com/ProLint', # Website - # install_requires=[], # Required packages, pulls from pip if needed; do not use for Conda deployment + url='https://github.com/ProLint/ufcc', # Website + install_requires=['mdanalysis', 'dask'], # Required packages, pulls from pip if needed; do not use for Conda deployment platforms=[ 'Linux', 'Mac OS-X',