From b7aa02775d811ef779f3ef3e6ce04559d18c356f Mon Sep 17 00:00:00 2001 From: chrisjonesBSU Date: Sun, 14 Jul 2024 09:17:36 -0600 Subject: [PATCH 1/3] replace lark-parser with lark in env files --- environment-dev-win.yml | 2 +- environment-dev.yml | 2 +- environment-win.yml | 2 +- environment.yml | 2 +- 4 files changed, 4 insertions(+), 4 deletions(-) diff --git a/environment-dev-win.yml b/environment-dev-win.yml index 4f8d70ce..5a5d1ecd 100644 --- a/environment-dev-win.yml +++ b/environment-dev-win.yml @@ -5,7 +5,7 @@ channels: dependencies: - bump2version - codecov - - lark-parser + - lark - lxml - mbuild>=0.17 - treelib diff --git a/environment-dev.yml b/environment-dev.yml index 0485ab36..240a4f95 100644 --- a/environment-dev.yml +++ b/environment-dev.yml @@ -4,7 +4,7 @@ channels: dependencies: - bump2version - codecov - - lark-parser + - lark - lxml - mbuild>=0.17 - treelib diff --git a/environment-win.yml b/environment-win.yml index cc6a7090..89b6e94b 100644 --- a/environment-win.yml +++ b/environment-win.yml @@ -3,7 +3,7 @@ channels: - conda-forge - omnia dependencies: - - lark-parser + - lark - lxml - networkx>=2.5 - openmm diff --git a/environment.yml b/environment.yml index 59d7a4e9..9355322b 100644 --- a/environment.yml +++ b/environment.yml @@ -2,7 +2,7 @@ name: foyer channels: - conda-forge dependencies: - - lark-parser + - lark - lxml - gmso - networkx>=2.5 From 9b4d36b8f3c4bfbbb654b0bd36cda1e391ac468b Mon Sep 17 00:00:00 2001 From: chrisjonesBSU Date: Sat, 20 Jul 2024 08:20:32 -0600 Subject: [PATCH 2/3] update versions in CI actions --- .github/workflows/CI.yaml | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/.github/workflows/CI.yaml b/.github/workflows/CI.yaml index 049ff98e..febb9341 100644 --- a/.github/workflows/CI.yaml +++ b/.github/workflows/CI.yaml @@ -26,7 +26,7 @@ jobs: shell: bash -l {0} steps: - - uses: actions/checkout@v3 + - uses: actions/checkout@v4 name: Checkout Branch / Pull Request - name: Install Mamba (Linux) @@ -42,7 +42,7 @@ jobs: run: python -m pytest -v -nauto --cov=foyer --cov-report=xml --cov-append --cov-config=setup.cfg --color yes --pyargs foyer - name: Upload Coverage Report - uses: codecov/codecov-action@v2 + uses: codecov/codecov-action@v4 with: name: Foyer-Coverage verbose: true @@ -63,7 +63,7 @@ jobs: shell: bash -l {0} steps: - - uses: actions/checkout@v3 + - uses: actions/checkout@v4 name: Checkout Branch / Pull Request - name: Install Mamba (Linux) @@ -95,7 +95,7 @@ jobs: shell: bash -l {0} steps: - - uses: actions/checkout@v3 + - uses: actions/checkout@v4 name: Checkout Branch / Pull Request - name: Install Mamba From d2ad66055ae6066fa828fe8761457e0878be79d6 Mon Sep 17 00:00:00 2001 From: chrisjonesBSU Date: Mon, 19 Aug 2024 11:06:48 -0600 Subject: [PATCH 3/3] remove repeat gmso line in env file --- environment-dev.yml | 1 - 1 file changed, 1 deletion(-) diff --git a/environment-dev.yml b/environment-dev.yml index 240a4f95..5d2c94c9 100644 --- a/environment-dev.yml +++ b/environment-dev.yml @@ -14,7 +14,6 @@ dependencies: - parmed>=3.4.3 - ele - openff-toolkit >=0.11 - - gmso - pip - pre-commit - pytest