From 013949f34f80507779e18df6e00636b130179112 Mon Sep 17 00:00:00 2001 From: Timotej Bernat Date: Fri, 3 Jan 2025 19:12:04 -0700 Subject: [PATCH] Changed espaloma_charge dependency from pip-based to conda-based --- devtools/conda-envs/release-build.yml | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/devtools/conda-envs/release-build.yml b/devtools/conda-envs/release-build.yml index c29e126..ae90763 100644 --- a/devtools/conda-envs/release-build.yml +++ b/devtools/conda-envs/release-build.yml @@ -48,8 +48,9 @@ dependencies: - openff-nagl>=0.4 - openff-nagl-models>=0.3 + # Espaloma + - espaloma_charge>=0.0.8 + # Chemical database queries - cirpy - - pubchempy - - pip: - - espaloma-charge>=0.0.8 \ No newline at end of file + - pubchempy \ No newline at end of file