MolarVerse · galjos · Aug 11, 2026 · Aug 11, 2026 · Aug 11, 2026 · Aug 11, 2026
diff --git a/.github/ci/integration-conda.txt b/.github/ci/integration-conda.txt
@@ -0,0 +1,3 @@
+pip
+conda-forge::dftbplus
+conda-forge::xtb
diff --git a/.github/ci/integration-requirements.txt b/.github/ci/integration-requirements.txt
@@ -0,0 +1,5 @@
+ase
+pqanalysis
+pyscf==2.9.0
+pytest
+pytest-cov
diff --git a/.github/workflows/changelog.yml b/.github/workflows/changelog.yml
diff --git a/.github/workflows/ci_build.yml b/.github/workflows/ci_build.yml
diff --git a/.github/workflows/clang_format.yml b/.github/workflows/clang_format.yml