Add f90wrap dependency to pyproject.toml (#468)

JaGeo · web-flow · commit b60f552f1d57 · 2026-01-07T17:32:50.000+01:00
diff --git a/pyproject.toml b/pyproject.toml
@@ -42,6 +42,7 @@ dependencies = [
      "torch<=2.2.1; sys.platform == 'linux'",
      # quippy-ase support for py3.12 tracked in https://github.com/libAtoms/QUIP/issues/645
      "quippy-ase==0.9.14; python_version < '3.12'",
+     "f90wrap==0.2.16"
 ]
 
 [tool.setuptools.packages.find]
@@ -84,6 +85,7 @@ strict = [
      "torch<=2.2.1; sys.platform == 'linux'",
      "nequip==0.6.1",
      "hiphive==1.4",
+     "f90wrap==0.2.16",
 ]
 dev = ["pre-commit>=2.12.1"]
 tests = ["pytest", "pytest-mock", "pytest-split", "pytest-cov", "types-setuptools", "nbmake"]

Original file line number	Diff line number	Diff line change
`@@ -42,6 +42,7 @@ dependencies = [`
`42`	`42`	`"torch<=2.2.1; sys.platform == 'linux'",`
`43`	`43`	`# quippy-ase support for py3.12 tracked in https://github.com/libAtoms/QUIP/issues/645`
`44`	`44`	`"quippy-ase==0.9.14; python_version < '3.12'",`
	`45`	`+ "f90wrap==0.2.16"`
`45`	`46`	`]`
`46`	`47`
`47`	`48`	`[tool.setuptools.packages.find]`
`@@ -84,6 +85,7 @@ strict = [`
`84`	`85`	`"torch<=2.2.1; sys.platform == 'linux'",`
`85`	`86`	`"nequip==0.6.1",`
`86`	`87`	`"hiphive==1.4",`
	`88`	`+ "f90wrap==0.2.16",`
`87`	`89`	`]`
`88`	`90`	`dev = ["pre-commit>=2.12.1"]`
`89`	`91`	`tests = ["pytest", "pytest-mock", "pytest-split", "pytest-cov", "types-setuptools", "nbmake"]`